[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C20H22N6O — CID 97187193

IUPAC[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C20H22N6O/c27-20(17-14-22-19(23-15-17)16-5-3-8-21-13-16)26-11-2-1-6-18(26)7-12-25-10-4-9-24-25/h3-5,8-10,13-15,18H,1-2,6-7,11-12H2/t18-/m1/s1
InChIKeySZDCMQQSFHRQAP-GOSISDBHSA-N
MW362.44 g/mol
LogP2.82
Rot. Bonds5

About [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 97187193) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID97187193
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C20H22N6O/c27-20(17-14-22-19(23-15-17)16-5-3-8-21-13-16)26-11-2-1-6-18(26)7-12-25-10-4-9-24-25/h3-5,8-10,13-15,18H,1-2,6-7,11-12H2/t18-/m1/s1
InChIKeySZDCMQQSFHRQAP-GOSISDBHSA-N
XLogP2.82
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
[6-(2-hydroxyethylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95208526
[6-(3-hydroxypropylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95201446
[6-(2-methylprop-2-enylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 26335118
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
(5-phenyl-1H-pyrazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97146479
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 97187193) is [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is SZDCMQQSFHRQAP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(17-14-22-19(23-15-17)16-5-3-8-21-13-16)26-11-2-1-6-18(26)7-12-25-10-4-9-24-25/h3-5,8-10,13-15,18H,1-2,6-7,11-12H2/t18-/m1/s1.
What are the key properties of [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 97187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).