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

C36H44N10O2 — CID 178005558

IUPAC7-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
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C5CN(c6cccc7c6C(C)(C)C(=O)N7)C5)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C36H44N10O2/c1-36(2)31-27(39-34(36)48)10-7-11-28(31)45-21-26(22-45)44-16-14-43(15-17-44)25-12-13-30(37-20-25)40-35-38-19-23-18-29(33(47)42(3)4)46(32(23)41-35)24-8-5-6-9-24/h7,10-13,18-20,24,26H,5-6,8-9,14-17,21-22H2,1-4H3,(H,39,48)(H,37,38,40,41)
InChIKeyYPKWGSQAMQPPCA-UHFFFAOYSA-N
MW648.82 g/mol
LogP4.63
Rot. Bonds7

About 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

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 (PubChem CID 178005558) has the molecular formula C36H44N10O2 and a molecular weight of 648.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID178005558
Molecular FormulaC36H44N10O2
Molecular Weight648.82 g/mol
Exact Mass648.36
IUPAC Name7-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
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C5CN(c6cccc7c6C(C)(C)C(=O)N7)C5)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C36H44N10O2/c1-36(2)31-27(39-34(36)48)10-7-11-28(31)45-21-26(22-45)44-16-14-43(15-17-44)25-12-13-30(37-20-25)40-35-38-19-23-18-29(33(47)42(3)4)46(32(23)41-35)24-8-5-6-9-24/h7,10-13,18-20,24,26H,5-6,8-9,14-17,21-22H2,1-4H3,(H,39,48)(H,37,38,40,41)
InChIKeyYPKWGSQAMQPPCA-UHFFFAOYSA-N
XLogP4.63
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.82
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005481
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
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-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]cyclohexyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 170586404
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
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
7-cyclopentyl-2-[[5-[4-(3-hydroxypropyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818580
7-cyclopentyl-2-[[5-[3-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005746
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
7-cyclopentyl-2-[[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764115

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C5CN(c6cccc7c6C(C)(C)C(=O)N7)C5)CC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 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?
The InChIKey is YPKWGSQAMQPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N10O2/c1-36(2)31-27(39-34(36)48)10-7-11-28(31)45-21-26(22-45)44-16-14-43(15-17-44)25-12-13-30(37-20-25)40-35-38-19-23-18-29(33(47)42(3)4)46(32(23)41-35)24-8-5-6-9-24/h7,10-13,18-20,24,26H,5-6,8-9,14-17,21-22H2,1-4H3,(H,39,48)(H,37,38,40,41).
What are the key properties of 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?
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 has a molecular weight of 648.82 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178005558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).