N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

C23H27N7O — CID 129324704

IUPACN,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
InChIInChI=1S/C23H27N7O/c1-29(2)23(31)18-13-25-28-20(18)16-7-5-11-30(14-16)22-17-8-3-9-19(17)26-21(27-22)15-6-4-10-24-12-15/h4,6,10,12-13,16H,3,5,7-9,11,14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyQRVIAAQHZZHZLI-INIZCTEOSA-N
MW417.52 g/mol
LogP2.84
Rot. Bonds4

About N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129324704) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129324704
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
InChIInChI=1S/C23H27N7O/c1-29(2)23(31)18-13-25-28-20(18)16-7-5-11-30(14-16)22-17-8-3-9-19(17)26-21(27-22)15-6-4-10-24-12-15/h4,6,10,12-13,16H,3,5,7-9,11,14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyQRVIAAQHZZHZLI-INIZCTEOSA-N
XLogP2.84
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56870477
(3aS,6aR)-2-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063361
[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45229762
(3R)-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 42382090
4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole
CID 166225649
N-[2-(dimethylamino)ethyl]-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56716004
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634
(3-hydroxyazetidin-1-yl)-[(3R)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95199077
methyl 2-[methyl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carbonyl]amino]acetate
CID 42342396
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 128968595
(9aS)-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 100897294

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 129324704) is N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1.
What is the InChIKey of N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is QRVIAAQHZZHZLI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N7O/c1-29(2)23(31)18-13-25-28-20(18)16-7-5-11-30(14-16)22-17-8-3-9-19(17)26-21(27-22)15-6-4-10-24-12-15/h4,6,10,12-13,16H,3,5,7-9,11,14H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(3S)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129324704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).