[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone

C19H23N5O2 — CID 120965616

IUPAC[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
SMILESCC(C)n1cc([C@@H]2CN(C(=O)c3ccc4cncn4c3)C[C@H]2CO)cn1
InChIInChI=1S/C19H23N5O2/c1-13(2)24-9-15(5-21-24)18-10-22(8-16(18)11-25)19(26)14-3-4-17-6-20-12-23(17)7-14/h3-7,9,12-13,16,18,25H,8,10-11H2,1-2H3/t16-,18-/m0/s1
InChIKeyHXKHQYOOUVBSKM-WMZOPIPTSA-N
MW353.43 g/mol
LogP1.96
Rot. Bonds4

About [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone

[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone (PubChem CID 120965616) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
PubChem CID120965616
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone
SMILESCC(C)n1cc([C@@H]2CN(C(=O)c3ccc4cncn4c3)C[C@H]2CO)cn1
InChIInChI=1S/C19H23N5O2/c1-13(2)24-9-15(5-21-24)18-10-22(8-16(18)11-25)19(26)14-3-4-17-6-20-12-23(17)7-14/h3-7,9,12-13,16,18,25H,8,10-11H2,1-2H3/t16-,18-/m0/s1
InChIKeyHXKHQYOOUVBSKM-WMZOPIPTSA-N
XLogP1.96
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 120965611
1-[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 167932537
[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 120581501
1-[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 120965630
[(3S,4R)-1-[(2-ethylpyrazol-3-yl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120949469
(3,4-dimethylphenyl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202750
3,5-difluoro-4-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 120581524
[(3S,4R)-1-[(4-aminopyrimidin-2-yl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 167911871
[(3S,4R)-1-[(2-amino-4-pyridinyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 154737564
(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116730
[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-methoxy-6-methyl-4-pyridinyl)methanone
CID 120762402
[(3S,4R)-1-[(3-methoxyphenyl)methyl]-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120949458

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
The IUPAC name of [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone (CID 120965616) is [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone.
What is the SMILES notation for [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
The canonical SMILES for [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone is CC(C)n1cc([C@@H]2CN(C(=O)c3ccc4cncn4c3)C[C@H]2CO)cn1.
What is the InChIKey of [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
The InChIKey is HXKHQYOOUVBSKM-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(2)24-9-15(5-21-24)18-10-22(8-16(18)11-25)19(26)14-3-4-17-6-20-12-23(17)7-14/h3-7,9,12-13,16,18,25H,8,10-11H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone?
[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone has a molecular weight of 353.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-imidazo[1,5-a]pyridin-6-ylmethanone is sourced from PubChem (CID 120965616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).