7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C27H34N8O2 — CID 53379016

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5C)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O2/c1-32(2)26(37)22-12-18-14-29-27(31-24(18)35(22)19-6-4-5-7-19)30-23-11-8-17(13-28-23)25(36)34-15-20-9-10-21(16-34)33(20)3/h8,11-14,19-21H,4-7,9-10,15-16H2,1-3H3,(H,28,29,30,31)
InChIKeyRGGRAERHROXLKH-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.31
Rot. Bonds5

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53379016) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID53379016
Molecular FormulaC27H34N8O2
Molecular Weight502.62 g/mol
Exact Mass502.28
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5C)cn3)nc2n1C1CCCC1
InChIInChI=1S/C27H34N8O2/c1-32(2)26(37)22-12-18-14-29-27(31-24(18)35(22)19-6-4-5-7-19)30-23-11-8-17(13-28-23)25(36)34-15-20-9-10-21(16-34)33(20)3/h8,11-14,19-21H,4-7,9-10,15-16H2,1-3H3,(H,28,29,30,31)
InChIKeyRGGRAERHROXLKH-UHFFFAOYSA-N
XLogP3.31
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44631912
CID 44631912
CID 68029831
CID 68029831
CID 86269224
CID 86269224
CID 124081865
CID 124081865
CID 57334219
CID 57334219
CID 56834890
CID 56834890
CID 70116605
CID 70116605
CID 89798202
CID 89798202
CID 53230343
CID 53230343
CID 122604256
CID 122604256
CID 122604287
CID 122604287
CID 122604354
CID 122604354

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 53379016) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5C)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RGGRAERHROXLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-32(2)26(37)22-12-18-14-29-27(31-24(18)35(22)19-6-4-5-7-19)30-23-11-8-17(13-28-23)25(36)34-15-20-9-10-21(16-34)33(20)3/h8,11-14,19-21H,4-7,9-10,15-16H2,1-3H3,(H,28,29,30,31).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53379016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).