7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

C24H31N7O — CID 58015961

IUPAC7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C24H31N7O/c1-29(2)23(32)21-15-17-16-26-24(28-22(17)31(21)20-5-3-4-6-20)27-18-7-9-19(10-8-18)30-13-11-25-12-14-30/h7-10,15-16,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
InChIKeyGIEZCFPNBLPSOM-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.40
Rot. Bonds5

About 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58015961) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID58015961
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C24H31N7O/c1-29(2)23(32)21-15-17-16-26-24(28-22(17)31(21)20-5-3-4-6-20)27-18-7-9-19(10-8-18)30-13-11-25-12-14-30/h7-10,15-16,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
InChIKeyGIEZCFPNBLPSOM-UHFFFAOYSA-N
XLogP3.40
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 58015961) is 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GIEZCFPNBLPSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-29(2)23(32)21-15-17-16-26-24(28-22(17)31(21)20-5-3-4-6-20)27-18-7-9-19(10-8-18)30-13-11-25-12-14-30/h7-10,15-16,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58015961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).