4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

C24H27ClFN7O — CID 142758712

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2NCCN(C)C
InChIInChI=1S/C24H27ClFN7O/c1-27-24(34)17-13-28-9-8-19(17)30-22-15-5-7-20(29-10-11-33(2)3)21(15)31-23(32-22)16-12-14(25)4-6-18(16)26/h4,6,8-9,12-13,20,29H,5,7,10-11H2,1-3H3,(H,27,34)(H,28,30,31,32)
InChIKeyLAGZTMYTDRHTGX-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.57
Rot. Bonds8

About 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 142758712) has the molecular formula C24H27ClFN7O and a molecular weight of 483.98 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
PubChem CID142758712
Molecular FormulaC24H27ClFN7O
Molecular Weight483.98 g/mol
Exact Mass483.19
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2NCCN(C)C
InChIInChI=1S/C24H27ClFN7O/c1-27-24(34)17-13-28-9-8-19(17)30-22-15-5-7-20(29-10-11-33(2)3)21(15)31-23(32-22)16-12-14(25)4-6-18(16)26/h4,6,8-9,12-13,20,29H,5,7,10-11H2,1-3H3,(H,27,34)(H,28,30,31,32)
InChIKeyLAGZTMYTDRHTGX-UHFFFAOYSA-N
XLogP3.57
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-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 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 142758712) is 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCC2NCCN(C)C.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is LAGZTMYTDRHTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN7O/c1-27-24(34)17-13-28-9-8-19(17)30-22-15-5-7-20(29-10-11-33(2)3)21(15)31-23(32-22)16-12-14(25)4-6-18(16)26/h4,6,8-9,12-13,20,29H,5,7,10-11H2,1-3H3,(H,27,34)(H,28,30,31,32).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 142758712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).