[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C18H23N5O3 — CID 125011424

IUPAC[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CC[C@@](O)(CN2CCOCC2)C1
InChIInChI=1S/C18H23N5O3/c24-17(16-10-15(20-21-16)14-2-1-4-19-11-14)23-5-3-18(25,13-23)12-22-6-8-26-9-7-22/h1-2,4,10-11,25H,3,5-9,12-13H2,(H,20,21)/t18-/m1/s1
InChIKeyVPZKOQMSQSQEEE-GOSISDBHSA-N
MW357.41 g/mol
LogP0.38
Rot. Bonds4

About [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 125011424) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID125011424
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CC[C@@](O)(CN2CCOCC2)C1
InChIInChI=1S/C18H23N5O3/c24-17(16-10-15(20-21-16)14-2-1-4-19-11-14)23-5-3-18(25,13-23)12-22-6-8-26-9-7-22/h1-2,4,10-11,25H,3,5-9,12-13H2,(H,20,21)/t18-/m1/s1
InChIKeyVPZKOQMSQSQEEE-GOSISDBHSA-N
XLogP0.38
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 125011424) is [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CC[C@@](O)(CN2CCOCC2)C1.
What is the InChIKey of [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is VPZKOQMSQSQEEE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(16-10-15(20-21-16)14-2-1-4-19-11-14)23-5-3-18(25,13-23)12-22-6-8-26-9-7-22/h1-2,4,10-11,25H,3,5-9,12-13H2,(H,20,21)/t18-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 125011424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).