(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide

C25H30N6O — CID 25384493

IUPAC(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)nn1C
InChIInChI=1S/C25H30N6O/c1-17-14-20(29-30(17)2)15-26-25(32)19-10-7-13-31(16-19)24-21-11-6-12-22(21)27-23(28-24)18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15-16H2,1-2H3,(H,26,32)/t19-/m1/s1
InChIKeyMNGWVANHDYXFQN-LJQANCHMSA-N
MW430.56 g/mol
LogP3.21
Rot. Bonds5

About (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide

(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 25384493) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID25384493
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)nn1C
InChIInChI=1S/C25H30N6O/c1-17-14-20(29-30(17)2)15-26-25(32)19-10-7-13-31(16-19)24-21-11-6-12-22(21)27-23(28-24)18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15-16H2,1-2H3,(H,26,32)/t19-/m1/s1
InChIKeyMNGWVANHDYXFQN-LJQANCHMSA-N
XLogP3.21
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(1,2-oxazol-3-ylmethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95202699
(3R)-N-(2-acetamidoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25309373
(3S)-N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 26317092
N-(2-amino-2-oxoethyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45227920
N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56716004
(3S)-N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 95213249
N-(3-amino-3-oxopropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 45223229
(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95207946
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 56708032
(3R)-N-(3-imidazol-1-ylpropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 42518410
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56702583
(3R)-N-(4-hydroxycyclohexyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25365414

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 25384493) is (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1cc(CNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)nn1C.
What is the InChIKey of (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MNGWVANHDYXFQN-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-14-20(29-30(17)2)15-26-25(32)19-10-7-13-31(16-19)24-21-11-6-12-22(21)27-23(28-24)18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15-16H2,1-2H3,(H,26,32)/t19-/m1/s1.
What are the key properties of (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 25384493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).