7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

C25H33N7O — CID 59290955

IUPAC7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12
InChIInChI=1S/C25H33N7O/c1-17-21-16-27-25(28-18-8-10-19(11-9-18)31-14-12-26-13-15-31)29-23(21)32(20-6-4-5-7-20)22(17)24(33)30(2)3/h8-11,16,20,26H,4-7,12-15H2,1-3H3,(H,27,28,29)
InChIKeyKMPZQIKSJHNAPA-UHFFFAOYSA-N
MW447.59 g/mol
LogP3.71
Rot. Bonds5

About 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59290955) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID59290955
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12
InChIInChI=1S/C25H33N7O/c1-17-21-16-27-25(28-18-8-10-19(11-9-18)31-14-12-26-13-15-31)29-23(21)32(20-6-4-5-7-20)22(17)24(33)30(2)3/h8-11,16,20,26H,4-7,12-15H2,1-3H3,(H,27,28,29)
InChIKeyKMPZQIKSJHNAPA-UHFFFAOYSA-N
XLogP3.71
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3,5-dihydro-2H-pyrazin-4-yl)-2-pyridinyl]amino]-N,N,5-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 126493178
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
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
8-cyclopentyl-5-methyl-2-[(4-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 171795723
8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;dihydrochloride
CID 68605600
methyl 8-cyclopentyl-5-methyl-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 11376429
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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 59290955) is 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12.
What is the InChIKey of 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KMPZQIKSJHNAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-17-21-16-27-25(28-18-8-10-19(11-9-18)31-14-12-26-13-15-31)29-23(21)32(20-6-4-5-7-20)22(17)24(33)30(2)3/h8-11,16,20,26H,4-7,12-15H2,1-3H3,(H,27,28,29).
What are the key properties of 7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 3.71, 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,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59290955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).