5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen

C69H69ClN24O8S3 — CID 162213397

IUPAC5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen
SMILESC#Cc1cnc(-c2ccc(C(=O)C(=O)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCCC2C(=O)O)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(-c4ccco4)[nH]n3)n2)s1.[H][H]
InChIInChI=1S/C18H23N7.C18H20N6O2.C18H13N5O3S.C15H11ClN6O3S2.H2/c1-3-13-12-19-18(25-8-4-7-24(2)9-10-25)21-17(13)20-16-11-15(22-23-16)14-5-6-14;1-2-11-10-19-18(24-8-4-3-5-14(24)17(25)26)21-16(11)20-15-9-13(22-23-15)12-6-7-12;1-2-9-8-19-17(13-6-5-12(27-13)15(24)18(25)26)21-16(9)20-14-7-11(22-23-14)10-3-4-10;16-8-7-18-15(11-3-4-13(26-11)27(17,23)24)20-14(8)19-12-6-9(21-22-12)10-2-1-5-25-10;/h1,11-12,14H,4-10H2,2H3,(H2,19,20,21,22,23);1,9-10,12,14H,3-8H2,(H,25,26)(H2,19,20,21,22,23);1,5-8,10H,3-4H2,(H,25,26)(H2,19,20,21,22,23);1-7H,(H2,17,23,24)(H2,18,19,20,21,22);1H
InChIKeyZTDSYQCCDHDKJS-UHFFFAOYSA-N
MW1494.12 g/mol
LogP10.47
Rot. Bonds20

About 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen

5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen (PubChem CID 162213397) has the molecular formula C69H69ClN24O8S3 and a molecular weight of 1494.12 g/mol. Its IUPAC name is 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen
PubChem CID162213397
Molecular FormulaC69H69ClN24O8S3
Molecular Weight1494.12 g/mol
Exact Mass1492.46
IUPAC Name5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen
SMILESC#Cc1cnc(-c2ccc(C(=O)C(=O)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCCC2C(=O)O)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(-c4ccco4)[nH]n3)n2)s1.[H][H]
InChIInChI=1S/C18H23N7.C18H20N6O2.C18H13N5O3S.C15H11ClN6O3S2.H2/c1-3-13-12-19-18(25-8-4-7-24(2)9-10-25)21-17(13)20-16-11-15(22-23-16)14-5-6-14;1-2-11-10-19-18(24-8-4-3-5-14(24)17(25)26)21-16(11)20-15-9-13(22-23-15)12-6-7-12;1-2-9-8-19-17(13-6-5-12(27-13)15(24)18(25)26)21-16(9)20-14-7-11(22-23-14)10-3-4-10;16-8-7-18-15(11-3-4-13(26-11)27(17,23)24)20-14(8)19-12-6-9(21-22-12)10-2-1-5-25-10;/h1,11-12,14H,4-10H2,2H3,(H2,19,20,21,22,23);1,9-10,12,14H,3-8H2,(H,25,26)(H2,19,20,21,22,23);1,5-8,10H,3-4H2,(H,25,26)(H2,19,20,21,22,23);1-7H,(H2,17,23,24)(H2,18,19,20,21,22);1H
InChIKeyZTDSYQCCDHDKJS-UHFFFAOYSA-N
XLogP10.47
TPSA440.65 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001494.12
LogP ≤ 510.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-chloro-4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
CID 58169441
methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen
CID 160723035
methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;hydrochloride
CID 86651549
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 158743301
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159662036
N-[2-[[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylamino]ethyl]-2,2-dimethylpropanamide
CID 50943688
(1R)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanol;(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanol;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]ethanone
CID 161208737
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
CID 90381576
(9Z)-18-chloro-12-cyclopropyl-13,14,16,20,21-pentazatetracyclo[15.3.1.02,7.011,15]henicosa-1(20),2,4,6,9,11,14,17(21),18-nonaen-8-ol;5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-hydroxyacetic acid;1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol;ethyl 2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-hydroxyacetate;molecular hydrogen
CID 161470236
5-[4-amino-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanol;5-[4-cyano-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
CID 159655622
(1R)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen
CID 161093015
(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-methylpropan-1-ol;molecular hydrogen
CID 161093014

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen?
The IUPAC name of 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen (CID 162213397) is 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen is C#Cc1cnc(-c2ccc(C(=O)C(=O)O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCCC2C(=O)O)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CCCN(C)CC2)nc1Nc1cc(C2CC2)[nH]n1.NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(-c4ccco4)[nH]n3)n2)s1.[H][H].
What is the InChIKey of 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen?
The InChIKey is ZTDSYQCCDHDKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7.C18H20N6O2.C18H13N5O3S.C15H11ClN6O3S2.H2/c1-3-13-12-19-18(25-8-4-7-24(2)9-10-25)21-17(13)20-16-11-15(22-23-16)14-5-6-14;1-2-11-10-19-18(24-8-4-3-5-14(24)17(25)26)21-16(11)20-15-9-13(22-23-15)12-6-7-12;1-2-9-8-19-17(13-6-5-12(27-13)15(24)18(25)26)21-16(9)20-14-7-11(22-23-14)10-3-4-10;16-8-7-18-15(11-3-4-13(26-11)27(17,23)24)20-14(8)19-12-6-9(21-22-12)10-2-1-5-25-10;/h1,11-12,14H,4-10H2,2H3,(H2,19,20,21,22,23);1,9-10,12,14H,3-8H2,(H,25,26)(H2,19,20,21,22,23);1,5-8,10H,3-4H2,(H,25,26)(H2,19,20,21,22,23);1-7H,(H2,17,23,24)(H2,18,19,20,21,22);1H.
What are the key properties of 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen?
5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen has a molecular weight of 1494.12 g/mol, XLogP of 10.47, 20 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]thiophene-2-sulfonamide;1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylic acid;2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]-2-oxoacetic acid;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 162213397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).