5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C22H25ClN6O2 — CID 123888393

IUPAC5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)c[nH]c3=O)cc2nc1N1CCCC1
InChIInChI=1S/C22H25ClN6O2/c1-14-13-29-19(25-20(14)27-7-4-5-8-27)11-17(26-29)18-6-2-3-9-28(18)22(31)16-10-15(23)12-24-21(16)30/h10-13,18H,2-9H2,1H3,(H,24,30)
InChIKeyYJIGWHRGCAMUKE-UHFFFAOYSA-N
MW440.94 g/mol
LogP3.35
Rot. Bonds3

About 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 123888393) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID123888393
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)c[nH]c3=O)cc2nc1N1CCCC1
InChIInChI=1S/C22H25ClN6O2/c1-14-13-29-19(25-20(14)27-7-4-5-8-27)11-17(26-29)18-6-2-3-9-28(18)22(31)16-10-15(23)12-24-21(16)30/h10-13,18H,2-9H2,1H3,(H,24,30)
InChIKeyYJIGWHRGCAMUKE-UHFFFAOYSA-N
XLogP3.35
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123266334
N-[2-[(2S)-2-[5-(azetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029553
(2-amino-5-chlorophenyl)-[(2S)-2-[5-[(3R)-3-aminopiperidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 118913313
N-[4-chloro-2-[2-[5-(4-hydroxypiperidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 76668414
(1-ethyl-5-methylpyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123277488
(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123918214
1-[2-[1-(5-chloro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 123652605
imidazo[1,2-a]pyridin-2-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123872101
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 58029701
(2-amino-5-chlorophenyl)-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 76668101
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 58029337
N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56597828

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 123888393) is 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cn2nc(C3CCCCN3C(=O)c3cc(Cl)c[nH]c3=O)cc2nc1N1CCCC1.
What is the InChIKey of 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is YJIGWHRGCAMUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-14-13-29-19(25-20(14)27-7-4-5-8-27)11-17(26-29)18-6-2-3-9-28(18)22(31)16-10-15(23)12-24-21(16)30/h10-13,18H,2-9H2,1H3,(H,24,30).
What are the key properties of 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 440.94 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 123888393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).