[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C17H21N5O2 — CID 110108189

IUPAC[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C17H21N5O2/c23-15-12-21(11-14(15)20-7-1-2-8-20)17(24)13-4-5-16(18-10-13)22-9-3-6-19-22/h3-6,9-10,14-15,23H,1-2,7-8,11-12H2/t14-,15-/m1/s1
InChIKeyDSDKYLWCDCGOGZ-HUUCEWRRSA-N
MW327.39 g/mol
LogP0.55
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 110108189) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID110108189
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1C[C@@H](O)[C@H](N2CCCC2)C1
InChIInChI=1S/C17H21N5O2/c23-15-12-21(11-14(15)20-7-1-2-8-20)17(24)13-4-5-16(18-10-13)22-9-3-6-19-22/h3-6,9-10,14-15,23H,1-2,7-8,11-12H2/t14-,15-/m1/s1
InChIKeyDSDKYLWCDCGOGZ-HUUCEWRRSA-N
XLogP0.55
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Dimethyl-6-(1H-pyrazol-1-yl)-3-pyridinecarboxamide
CID 3758868
(4-methylpiperazino)[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone
CID 3758761
[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 49870072
[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 67500908
[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 67501435
((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3-triazol-2-yl)-2-methylpiperidin-1-yl)(2-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)methanone
CID 121313974
2-{1-[(3R,6R)-6-Methyl-1-{[2-(1H-pyrazol-1-yl)pyridin-3-yl]carbonyl}piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314175
US10155750, Example 48
CID 121440221
(5-Propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48690030
(5-Ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48690072
(3-Pyrazol-1-ylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53554673
(6-Imidazol-1-yl-3-pyridinyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53555112

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 110108189) is [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is O=C(c1ccc(-n2cccn2)nc1)N1C[C@@H](O)[C@H](N2CCCC2)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is DSDKYLWCDCGOGZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-15-12-21(11-14(15)20-7-1-2-8-20)17(24)13-4-5-16(18-10-13)22-9-3-6-19-22/h3-6,9-10,14-15,23H,1-2,7-8,11-12H2/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 327.39 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110108189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).