7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H34N8O3 — CID 53379128

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCCNCC5)OC4=O)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O3/c1-33(2)24(36)21-14-18-15-30-25(32-23(18)35(21)19-6-3-4-7-19)31-22-9-8-20(16-29-22)34-17-27(38-26(34)37)10-5-12-28-13-11-27/h8-9,14-16,19,28H,3-7,10-13,17H2,1-2H3,(H,29,30,31,32)/t27-/m1/s1
InChIKeySBXGKKOSDIUNGQ-HHHXNRCGSA-N
MW518.62 g/mol
LogP3.86
Rot. Bonds5

About 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53379128) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID53379128
Molecular FormulaC27H34N8O3
Molecular Weight518.62 g/mol
Exact Mass518.28
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCCNCC5)OC4=O)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O3/c1-33(2)24(36)21-14-18-15-30-25(32-23(18)35(21)19-6-3-4-7-19)31-22-9-8-20(16-29-22)34-17-27(38-26(34)37)10-5-12-28-13-11-27/h8-9,14-16,19,28H,3-7,10-13,17H2,1-2H3,(H,29,30,31,32)/t27-/m1/s1
InChIKeySBXGKKOSDIUNGQ-HHHXNRCGSA-N
XLogP3.86
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

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CID 53230343
7-Cyclopentyl-2-({1-Methyl-5-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-3-Yl}amino)-7h-Pyrrolo[2,3-D]pyrimidine-6-Carboxamide
CID 57383477
Pyrrolo[2,3-d]pyrimidine derivative 9
CID 44818950
Pyrrolo[2,3-d]pyrimidine derivative 10
CID 53378895
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137634895
N-(oxetan-3-yl)-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137645843
N-(oxetan-3-yl)-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137655665
N-ethyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137661938
7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58015961

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 53379128) is 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCCNCC5)OC4=O)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SBXGKKOSDIUNGQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-33(2)24(36)21-14-18-15-30-25(32-23(18)35(21)19-6-3-4-7-19)31-22-9-8-20(16-29-22)34-17-27(38-26(34)37)10-5-12-28-13-11-27/h8-9,14-16,19,28H,3-7,10-13,17H2,1-2H3,(H,29,30,31,32)/t27-/m1/s1.
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-[(5R)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53379128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).