N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen

C65H71Cl4N25O4S5 — CID 159169021

IUPACN-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
SMILESN#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NCCNS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NC1CC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H20ClN7O2S.C17H17ClN6O2S2.C15H15ClN6S.C15H11ClN6S.4H2/c19-14-10-21-17(12-2-1-3-13(8-12)29(27,28)22-7-6-20)24-18(14)23-16-9-15(25-26-16)11-4-5-11;18-11-8-19-17(13-5-6-15(27-13)28(25,26)24-10-3-4-10)21-16(11)20-14-7-12(22-23-14)9-1-2-9;2*16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;;;;/h1-3,8-11,22H,4-7,20H2,(H2,21,23,24,25,26);5-10,24H,1-4H2,(H2,19,20,21,22,23);3-5,7-8H,1-2,6,17H2,(H2,18,19,20,21,22);3-5,7-8H,1-2H2,(H2,18,19,20,21,22);4*1H
InChIKeyKLLGVOGDJPZBNV-UHFFFAOYSA-N
MW1568.60 g/mol
LogP14.74
Rot. Bonds24

About N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen

N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen (PubChem CID 159169021) has the molecular formula C65H71Cl4N25O4S5 and a molecular weight of 1568.60 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
PubChem CID159169021
Molecular FormulaC65H71Cl4N25O4S5
Molecular Weight1568.60 g/mol
Exact Mass1565.35
IUPAC NameN-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
SMILESN#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NCCNS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NC1CC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H20ClN7O2S.C17H17ClN6O2S2.C15H15ClN6S.C15H11ClN6S.4H2/c19-14-10-21-17(12-2-1-3-13(8-12)29(27,28)22-7-6-20)24-18(14)23-16-9-15(25-26-16)11-4-5-11;18-11-8-19-17(13-5-6-15(27-13)28(25,26)24-10-3-4-10)21-16(11)20-14-7-12(22-23-14)9-1-2-9;2*16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;;;;/h1-3,8-11,22H,4-7,20H2,(H2,21,23,24,25,26);5-10,24H,1-4H2,(H2,19,20,21,22,23);3-5,7-8H,1-2,6,17H2,(H2,18,19,20,21,22);3-5,7-8H,1-2H2,(H2,18,19,20,21,22);4*1H
InChIKeyKLLGVOGDJPZBNV-UHFFFAOYSA-N
XLogP14.74
TPSA434.13 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms103
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001568.60
LogP ≤ 514.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
The IUPAC name of N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen (CID 159169021) is N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen.
What is the SMILES notation for N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
The canonical SMILES for N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen is N#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NCCNS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=S(=O)(NC1CC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
The InChIKey is KLLGVOGDJPZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2S.C17H17ClN6O2S2.C15H15ClN6S.C15H11ClN6S.4H2/c19-14-10-21-17(12-2-1-3-13(8-12)29(27,28)22-7-6-20)24-18(14)23-16-9-15(25-26-16)11-4-5-11;18-11-8-19-17(13-5-6-15(27-13)28(25,26)24-10-3-4-10)21-16(11)20-14-7-12(22-23-14)9-1-2-9;2*16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;;;;/h1-3,8-11,22H,4-7,20H2,(H2,21,23,24,25,26);5-10,24H,1-4H2,(H2,19,20,21,22,23);3-5,7-8H,1-2,6,17H2,(H2,18,19,20,21,22);3-5,7-8H,1-2H2,(H2,18,19,20,21,22);4*1H.
What are the key properties of N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen has a molecular weight of 1568.60 g/mol, XLogP of 14.74, 24 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide;2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen is sourced from PubChem (CID 159169021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).