[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone

C22H24N8O — CID 168772673

IUPAC[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC(Nc2ncc3c(-c4ccn5nccc5n4)c[nH]c3n2)C1
InChIInChI=1S/C22H24N8O/c1-22(20(31)29-7-2-3-8-29)10-14(11-22)26-21-24-13-16-15(12-23-19(16)28-21)17-5-9-30-18(27-17)4-6-25-30/h4-6,9,12-14H,2-3,7-8,10-11H2,1H3,(H2,23,24,26,28)
InChIKeyRIRKPTFQTPGPAO-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.87
Rot. Bonds4

About [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone

[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone (PubChem CID 168772673) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone
PubChem CID168772673
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C(=O)N2CCCC2)CC(Nc2ncc3c(-c4ccn5nccc5n4)c[nH]c3n2)C1
InChIInChI=1S/C22H24N8O/c1-22(20(31)29-7-2-3-8-29)10-14(11-22)26-21-24-13-16-15(12-23-19(16)28-21)17-5-9-30-18(27-17)4-6-25-30/h4-6,9,12-14H,2-3,7-8,10-11H2,1H3,(H2,23,24,26,28)
InChIKeyRIRKPTFQTPGPAO-UHFFFAOYSA-N
XLogP2.87
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 168773560
N-[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]propanamide
CID 168772395
N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175893243
[1-methyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclobutyl]-pyrrolidin-1-ylmethanone
CID 168773107
[3-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168772929
[3-[[5-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168774027
1-[2-[(5-imidazo[1,2-b]pyridazin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773684
1-[2-[(5-imidazo[1,2-a]pyrimidin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773690
5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773647
N-(1-oxaspiro[3.5]nonan-7-yl)-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773055
N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
1-[4-[(5-cinnolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]ethanone
CID 168773965

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone (CID 168772673) is [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone is CC1(C(=O)N2CCCC2)CC(Nc2ncc3c(-c4ccn5nccc5n4)c[nH]c3n2)C1.
What is the InChIKey of [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
The InChIKey is RIRKPTFQTPGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-22(20(31)29-7-2-3-8-29)10-14(11-22)26-21-24-13-16-15(12-23-19(16)28-21)17-5-9-30-18(27-17)4-6-25-30/h4-6,9,12-14H,2-3,7-8,10-11H2,1H3,(H2,23,24,26,28).
What are the key properties of [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone?
[1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone has a molecular weight of 416.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[(5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclobutyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 168772673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).