7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C24H30N8O — CID 126493178

IUPAC7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CC=NCC4)cn3)ncc12
InChIInChI=1S/C24H30N8O/c1-16-19-15-27-24(28-20-9-8-18(14-26-20)31-12-10-25-11-13-31)29-22(19)32(17-6-4-5-7-17)21(16)23(33)30(2)3/h8-10,14-15,17H,4-7,11-13H2,1-3H3,(H,26,27,28,29)
InChIKeyVVLPDUOCWOXDBD-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.59
Rot. Bonds5

About 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 126493178) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID126493178
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CC=NCC4)cn3)ncc12
InChIInChI=1S/C24H30N8O/c1-16-19-15-27-24(28-20-9-8-18(14-26-20)31-12-10-25-11-13-31)29-22(19)32(17-6-4-5-7-17)21(16)23(33)30(2)3/h8-10,14-15,17H,4-7,11-13H2,1-3H3,(H,26,27,28,29)
InChIKeyVVLPDUOCWOXDBD-UHFFFAOYSA-N
XLogP3.59
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
tert-butyl 4-[6-[(6-carbamoyl-7-cyclopentyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58015793
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 129292960
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-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
6-acetyl-2-[[5-(3-aminopyrrolidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330299
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 126493178) is 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CC=NCC4)cn3)ncc12.
What is the InChIKey of 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VVLPDUOCWOXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-16-19-15-27-24(28-20-9-8-18(14-26-20)31-12-10-25-11-13-31)29-22(19)32(17-6-4-5-7-17)21(16)23(33)30(2)3/h8-10,14-15,17H,4-7,11-13H2,1-3H3,(H,26,27,28,29).
What are the key properties of 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 126493178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).