2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride

C21H26ClN5O2 — CID 163338083

IUPAC2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)CC1
InChIInChI=1S/C21H25N5O2.ClH/c27-19-15-5-6-21(17(15)24-18(25-19)14-3-1-9-22-13-14)7-11-26(12-8-21)20(28)16-4-2-10-23-16;/h1,3,9,13,16,23H,2,4-8,10-12H2,(H,24,25,27);1H/t16-;/m0./s1
InChIKeyNJBZLHLTGNWBCT-NTISSMGPSA-N
MW415.93 g/mol
LogP1.81
Rot. Bonds2

About 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride

2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride (PubChem CID 163338083) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
PubChem CID163338083
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)CC1
InChIInChI=1S/C21H25N5O2.ClH/c27-19-15-5-6-21(17(15)24-18(25-19)14-3-1-9-22-13-14)7-11-26(12-8-21)20(28)16-4-2-10-23-16;/h1,3,9,13,16,23H,2,4-8,10-12H2,(H,24,25,27);1H/t16-;/m0./s1
InChIKeyNJBZLHLTGNWBCT-NTISSMGPSA-N
XLogP1.81
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride with MolForge

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Related Compounds

1'-(6-oxo-1H-pyrazine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011265
2-cyclopropyl-1'-(piperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155937984
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1'-propylsulfonyl-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155498076
1'-(1H-imidazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155499288
1'-(3-methyloxetane-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564584
1'-(6-aminopyridine-2-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565415
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009
3-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)benzonitrile
CID 155507593
1'-[2-(cyclopropylamino)acetyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride
CID 155938769

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride (CID 163338083) is 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride is Cl.O=C([C@@H]1CCCN1)N1CCC2(CCc3c2nc(-c2cccnc2)[nH]c3=O)CC1.
What is the InChIKey of 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
The InChIKey is NJBZLHLTGNWBCT-NTISSMGPSA-N. The full InChI is InChI=1S/C21H25N5O2.ClH/c27-19-15-5-6-21(17(15)24-18(25-19)14-3-1-9-22-13-14)7-11-26(12-8-21)20(28)16-4-2-10-23-16;/h1,3,9,13,16,23H,2,4-8,10-12H2,(H,24,25,27);1H/t16-;/m0./s1.
What are the key properties of 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride?
2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1'-[(2S)-pyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 163338083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).