7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C31H37N11O2 — CID 174282072

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)c5ccc6c(c5)N(C)NN6)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C31H37N11O2/c1-38(2)30(44)26-17-21-18-33-31(35-28(21)42(26)22-6-4-5-7-22)34-27-11-9-23(19-32-27)40-12-14-41(15-13-40)29(43)20-8-10-24-25(16-20)39(3)37-36-24/h8-11,16-19,22,36-37H,4-7,12-15H2,1-3H3,(H,32,33,34,35)
InChIKeySMNPMFLUEZXZJQ-UHFFFAOYSA-N
MW595.71 g/mol
LogP3.63
Rot. Bonds6

About 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 174282072) has the molecular formula C31H37N11O2 and a molecular weight of 595.71 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID174282072
Molecular FormulaC31H37N11O2
Molecular Weight595.71 g/mol
Exact Mass595.31
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)c5ccc6c(c5)N(C)NN6)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C31H37N11O2/c1-38(2)30(44)26-17-21-18-33-31(35-28(21)42(26)22-6-4-5-7-22)34-27-11-9-23(19-32-27)40-12-14-41(15-13-40)29(43)20-8-10-24-25(16-20)39(3)37-36-24/h8-11,16-19,22,36-37H,4-7,12-15H2,1-3H3,(H,32,33,34,35)
InChIKeySMNPMFLUEZXZJQ-UHFFFAOYSA-N
XLogP3.63
TPSA126.79 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-cyclopentyl-2-[[5-[4-(4-ethynylbenzoyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 171527817
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
7-cyclopentyl-2-[[5-[4-(3-hydroxypropyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818580
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
2-[[5-[4-[(E)-4-(2-chlorophenyl)-4-oxobut-2-enoyl]piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 171527782
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
7-cyclopentyl-2-[[5-[4-(2-ethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44819649
7-cyclopentyl-2-[[5-[4-[1-(3,3-dimethyl-2-oxo-1H-indol-4-yl)azetidin-3-yl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005558
tert-butyl 4-[4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]piperidine-1-carboxylate
CID 156789713
[4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl sulfamate
CID 121382922

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 174282072) is 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)c5ccc6c(c5)N(C)NN6)CC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SMNPMFLUEZXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N11O2/c1-38(2)30(44)26-17-21-18-33-31(35-28(21)42(26)22-6-4-5-7-22)34-27-11-9-23(19-32-27)40-12-14-41(15-13-40)29(43)20-8-10-24-25(16-20)39(3)37-36-24/h8-11,16-19,22,36-37H,4-7,12-15H2,1-3H3,(H,32,33,34,35).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 595.71 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(3-methyl-1,2-dihydrobenzotriazole-5-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 174282072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).