[3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone

C15H16N6O2 — CID 166320723

IUPAC[3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone
SMILESCc1[nH]nc2cc(C(=O)N3CCC(O)(c4ccn[nH]4)C3)ncc12
InChIInChI=1S/C15H16N6O2/c1-9-10-7-16-12(6-11(10)19-18-9)14(22)21-5-3-15(23,8-21)13-2-4-17-20-13/h2,4,6-7,23H,3,5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyUOMAQHZZNSZLOB-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.72
Rot. Bonds2

About [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone

[3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone (PubChem CID 166320723) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone
PubChem CID166320723
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name[3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone
SMILESCc1[nH]nc2cc(C(=O)N3CCC(O)(c4ccn[nH]4)C3)ncc12
InChIInChI=1S/C15H16N6O2/c1-9-10-7-16-12(6-11(10)19-18-9)14(22)21-5-3-15(23,8-21)13-2-4-17-20-13/h2,4,6-7,23H,3,5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyUOMAQHZZNSZLOB-UHFFFAOYSA-N
XLogP0.72
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone (CID 166320723) is [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone is Cc1[nH]nc2cc(C(=O)N3CCC(O)(c4ccn[nH]4)C3)ncc12.
What is the InChIKey of [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
The InChIKey is UOMAQHZZNSZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9-10-7-16-12(6-11(10)19-18-9)14(22)21-5-3-15(23,8-21)13-2-4-17-20-13/h2,4,6-7,23H,3,5,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone?
[3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone has a molecular weight of 312.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)methanone is sourced from PubChem (CID 166320723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).