7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C24H32N8O — CID 129292960

IUPAC7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc12
InChIInChI=1S/C24H32N8O/c1-16-19-15-27-24(28-17-8-9-20(26-14-17)31-12-10-25-11-13-31)29-22(19)32(18-6-4-5-7-18)21(16)23(33)30(2)3/h8-9,14-15,18,25H,4-7,10-13H2,1-3H3,(H,27,28,29)
InChIKeyVHPBLELZIWTCPP-UHFFFAOYSA-N
MW448.58 g/mol
LogP3.10
Rot. Bonds5

About 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 129292960) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID129292960
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc12
InChIInChI=1S/C24H32N8O/c1-16-19-15-27-24(28-17-8-9-20(26-14-17)31-12-10-25-11-13-31)29-22(19)32(18-6-4-5-7-18)21(16)23(33)30(2)3/h8-9,14-15,18,25H,4-7,10-13H2,1-3H3,(H,27,28,29)
InChIKeyVHPBLELZIWTCPP-UHFFFAOYSA-N
XLogP3.10
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[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
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
6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 11223713
6-acetyl-8-cyclopentyl-5-methyl-2-[(2-piperazin-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856883
8-cyclopentyl-N-(5-methyl-6-piperazin-1-yl-3-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299874
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
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 171795723
6-acetyl-8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856900
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
7-cyclopentyl-5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58016035
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 129292960) is 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc12.
What is the InChIKey of 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VHPBLELZIWTCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-16-19-15-27-24(28-17-8-9-20(26-14-17)31-12-10-25-11-13-31)29-22(19)32(18-6-4-5-7-18)21(16)23(33)30(2)3/h8-9,14-15,18,25H,4-7,10-13H2,1-3H3,(H,27,28,29).
What are the key properties of 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 448.58 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 129292960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).