methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen

C19H24N6O2 — CID 160723035

IUPACmethyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen
SMILESC#Cc1cnc(N2CCCCC2C(=O)OC)nc1Nc1cc(C2CC2)[nH]n1.[H][H]
InChIInChI=1S/C19H22N6O2.H2/c1-3-12-11-20-19(25-9-5-4-6-15(25)18(26)27-2)22-17(12)21-16-10-14(23-24-16)13-7-8-13;/h1,10-11,13,15H,4-9H2,2H3,(H2,20,21,22,23,24);1H
InChIKeyRTIRYKQDUGVYKN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.58
Rot. Bonds5

About methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen

methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen (PubChem CID 160723035) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen
PubChem CID160723035
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Namemethyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen
SMILESC#Cc1cnc(N2CCCCC2C(=O)OC)nc1Nc1cc(C2CC2)[nH]n1.[H][H]
InChIInChI=1S/C19H22N6O2.H2/c1-3-12-11-20-19(25-9-5-4-6-15(25)18(26)27-2)22-17(12)21-16-10-14(23-24-16)13-7-8-13;/h1,10-11,13,15H,4-9H2,2H3,(H2,20,21,22,23,24);1H
InChIKeyRTIRYKQDUGVYKN-UHFFFAOYSA-N
XLogP2.58
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen with MolForge

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Related Compounds

methyl 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophene-2-carboxylate;hydrochloride
CID 86651549
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-5-(2-trimethylsilylethynyl)pyrimidin-4-amine
CID 66927380
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 90259172
methyl 1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
CID 90246945
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
(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
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
[(2R)-1-[4-[[5-(oxan-4-yl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 129114217
(2R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 129114827
2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]phenyl]acetonitrile;molecular hydrogen
CID 161039216
methyl 1-quinazolin-2-ylpiperidine-2-carboxylate
CID 114789710

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen?
The IUPAC name of methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen (CID 160723035) is methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen?
The canonical SMILES for methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen is C#Cc1cnc(N2CCCCC2C(=O)OC)nc1Nc1cc(C2CC2)[nH]n1.[H][H].
What is the InChIKey of methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen?
The InChIKey is RTIRYKQDUGVYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.H2/c1-3-12-11-20-19(25-9-5-4-6-15(25)18(26)27-2)22-17(12)21-16-10-14(23-24-16)13-7-8-13;/h1,10-11,13,15H,4-9H2,2H3,(H2,20,21,22,23,24);1H.
What are the key properties of methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen?
methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen has a molecular weight of 368.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]piperidine-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 160723035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).