(5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

C25H30ClN5O3 — CID 123285439

IUPAC(5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCCC1c1cc2nc(N3CC(C)C(O)C3)c(C)cn2n1
InChIInChI=1S/C25H30ClN5O3/c1-15-12-29(14-21(15)32)24-16(2)13-31-23(27-24)11-19(28-31)20-6-4-5-9-30(20)25(33)18-10-17(26)7-8-22(18)34-3/h7-8,10-11,13,15,20-21,32H,4-6,9,12,14H2,1-3H3
InChIKeyANOQWKULQIYBQI-UHFFFAOYSA-N
MW484.00 g/mol
LogP3.88
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 123285439) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID123285439
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name(5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCCC1c1cc2nc(N3CC(C)C(O)C3)c(C)cn2n1
InChIInChI=1S/C25H30ClN5O3/c1-15-12-29(14-21(15)32)24-16(2)13-31-23(27-24)11-19(28-31)20-6-4-5-9-30(20)25(33)18-10-17(26)7-8-22(18)34-3/h7-8,10-11,13,15,20-21,32H,4-6,9,12,14H2,1-3H3
InChIKeyANOQWKULQIYBQI-UHFFFAOYSA-N
XLogP3.88
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497069
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522393
2-amino-N-[1-[1-[3-[benzoyl(methyl)amino]propyl]piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522434
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[(3R)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522448
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3S)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522470
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[(3S)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522489
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(3R,4R)-3-hydroxypiperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522529
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522577
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-hydroxy-3-(morpholin-4-yl)propyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522590
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522598
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(3-hydroxypropyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522633
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522643

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 123285439) is (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCCCC1c1cc2nc(N3CC(C)C(O)C3)c(C)cn2n1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is ANOQWKULQIYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-15-12-29(14-21(15)32)24-16(2)13-31-23(27-24)11-19(28-31)20-6-4-5-9-30(20)25(33)18-10-17(26)7-8-22(18)34-3/h7-8,10-11,13,15,20-21,32H,4-6,9,12,14H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 484.00 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[2-[5-(3-hydroxy-4-methylpyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 123285439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).