7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H34N8O2 — CID 53378898

IUPAC7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-18-15-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-10-7-17(14-28-23)25(36)34-12-11-19-8-9-20(16-34)30-19/h7,10,13-15,19-21,30H,3-6,8-9,11-12,16H2,1-2H3,(H,28,29,31,32)/t19-,20+/m0/s1
InChIKeyJMYHPWJJCGPKPL-VQTJNVASSA-N
MW502.62 g/mol
LogP3.35
Rot. Bonds5

About 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53378898) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID53378898
Molecular FormulaC27H34N8O2
Molecular Weight502.62 g/mol
Exact Mass502.28
IUPAC Name7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-18-15-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-10-7-17(14-28-23)25(36)34-12-11-19-8-9-20(16-34)30-19/h7,10,13-15,19-21,30H,3-6,8-9,11-12,16H2,1-2H3,(H,28,29,31,32)/t19-,20+/m0/s1
InChIKeyJMYHPWJJCGPKPL-VQTJNVASSA-N
XLogP3.35
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 53378898) is 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[C@@H]5CC[C@H](C4)N5)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JMYHPWJJCGPKPL-VQTJNVASSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-18-15-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-10-7-17(14-28-23)25(36)34-12-11-19-8-9-20(16-34)30-19/h7,10,13-15,19-21,30H,3-6,8-9,11-12,16H2,1-2H3,(H,28,29,31,32)/t19-,20+/m0/s1.
What are the key properties of 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53378898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).