7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H36N8O — CID 44818950

IUPAC7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H36N8O/c1-18(2)32-11-13-33(14-12-32)21-9-10-23(27-17-21)29-26-28-16-19-15-22(25(35)31(3)4)34(24(19)30-26)20-7-5-6-8-20/h9-10,15-18,20H,5-8,11-14H2,1-4H3,(H,27,28,29,30)
InChIKeyXVVBHKGQHJECBA-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.92
Rot. Bonds6

About 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 44818950) has the molecular formula C26H36N8O and a molecular weight of 476.63 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID44818950
Molecular FormulaC26H36N8O
Molecular Weight476.63 g/mol
Exact Mass476.30
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H36N8O/c1-18(2)32-11-13-33(14-12-32)21-9-10-23(27-17-21)29-26-28-16-19-15-22(25(35)31(3)4)34(24(19)30-26)20-7-5-6-8-20/h9-10,15-18,20H,5-8,11-14H2,1-4H3,(H,27,28,29,30)
InChIKeyXVVBHKGQHJECBA-UHFFFAOYSA-N
XLogP3.92
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 44818950) is 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XVVBHKGQHJECBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O/c1-18(2)32-11-13-33(14-12-32)21-9-10-23(27-17-21)29-26-28-16-19-15-22(25(35)31(3)4)34(24(19)30-26)20-7-5-6-8-20/h9-10,15-18,20H,5-8,11-14H2,1-4H3,(H,27,28,29,30).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 44818950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).