[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C20H21N3O2 — CID 72866582

IUPAC[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCC(Cc2cccc(CO)c2)C1
InChIInChI=1S/C20H21N3O2/c24-14-17-5-3-4-15(11-17)10-16-7-9-22(13-16)20(25)18-12-21-23-8-2-1-6-19(18)23/h1-6,8,11-12,16,24H,7,9-10,13-14H2
InChIKeyNTYCSYQDXZHNMA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.53
Rot. Bonds4

About [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 72866582) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID72866582
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCC(Cc2cccc(CO)c2)C1
InChIInChI=1S/C20H21N3O2/c24-14-17-5-3-4-15(11-17)10-16-7-9-22(13-16)20(25)18-12-21-23-8-2-1-6-19(18)23/h1-6,8,11-12,16,24H,7,9-10,13-14H2
InChIKeyNTYCSYQDXZHNMA-UHFFFAOYSA-N
XLogP2.53
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 72866582) is [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCC(Cc2cccc(CO)c2)C1.
What is the InChIKey of [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is NTYCSYQDXZHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-14-17-5-3-4-15(11-17)10-16-7-9-22(13-16)20(25)18-12-21-23-8-2-1-6-19(18)23/h1-6,8,11-12,16,24H,7,9-10,13-14H2.
What are the key properties of [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 72866582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).