5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C19H22ClN9 — CID 140943507

IUPAC5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nn(C(C)(C)c2ncn(C)n2)cc1Nc1nc(C2CC2)c2c(Cl)c[nH]c2n1
InChIInChI=1S/C19H22ClN9/c1-10-13(8-29(26-10)19(2,3)17-22-9-28(4)27-17)23-18-24-15(11-5-6-11)14-12(20)7-21-16(14)25-18/h7-9,11H,5-6H2,1-4H3,(H2,21,23,24,25)
InChIKeyBKZLZWJFWLCLDX-UHFFFAOYSA-N
MW411.90 g/mol
LogP3.65
Rot. Bonds5

About 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 140943507) has the molecular formula C19H22ClN9 and a molecular weight of 411.90 g/mol. Its IUPAC name is 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID140943507
Molecular FormulaC19H22ClN9
Molecular Weight411.90 g/mol
Exact Mass411.17
IUPAC Name5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nn(C(C)(C)c2ncn(C)n2)cc1Nc1nc(C2CC2)c2c(Cl)c[nH]c2n1
InChIInChI=1S/C19H22ClN9/c1-10-13(8-29(26-10)19(2,3)17-22-9-28(4)27-17)23-18-24-15(11-5-6-11)14-12(20)7-21-16(14)25-18/h7-9,11H,5-6H2,1-4H3,(H2,21,23,24,25)
InChIKeyBKZLZWJFWLCLDX-UHFFFAOYSA-N
XLogP3.65
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

2-[4-[(5-chloro-4-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943572
5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943281
[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-3-yl]methanol
CID 140943461
2-[4-[(5-cyclopropyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 135374392
4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943330
5-fluoro-N-[1-(2-isocyanopropan-2-yl)-3-methylpyrazol-4-yl]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943478
6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
CID 140943276
2-[4-[[4-cyclopropyl-5-fluoro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943263
4-cyclopropyl-2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 140943535
2-[4-[[5-chloro-4-[(4-methoxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 165385697
4-cyclopropyl-2-[(6-methoxy-2-methyl-1-oxo-3H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 146393796
6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
CID 164740937

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 140943507) is 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nn(C(C)(C)c2ncn(C)n2)cc1Nc1nc(C2CC2)c2c(Cl)c[nH]c2n1.
What is the InChIKey of 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BKZLZWJFWLCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN9/c1-10-13(8-29(26-10)19(2,3)17-22-9-28(4)27-17)23-18-24-15(11-5-6-11)14-12(20)7-21-16(14)25-18/h7-9,11H,5-6H2,1-4H3,(H2,21,23,24,25).
What are the key properties of 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 411.90 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 140943507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).