N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C16H20N4O3S — CID 94695408

IUPACN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)N[C@@H]2CCN(C3CC3)C2)c2ccccn12
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)16-18-14(13-4-2-3-8-20(13)16)15(21)17-11-7-9-19(10-11)12-5-6-12/h2-4,8,11-12H,5-7,9-10H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyYXSGCUNDEWQDHE-LLVKDONJSA-N
MW348.43 g/mol
LogP0.70
Rot. Bonds4

About N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 94695408) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID94695408
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)N[C@@H]2CCN(C3CC3)C2)c2ccccn12
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)16-18-14(13-4-2-3-8-20(13)16)15(21)17-11-7-9-19(10-11)12-5-6-12/h2-4,8,11-12H,5-7,9-10H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyYXSGCUNDEWQDHE-LLVKDONJSA-N
XLogP0.70
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 94695408) is N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is CS(=O)(=O)c1nc(C(=O)N[C@@H]2CCN(C3CC3)C2)c2ccccn12.
What is the InChIKey of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is YXSGCUNDEWQDHE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(22,23)16-18-14(13-4-2-3-8-20(13)16)15(21)17-11-7-9-19(10-11)12-5-6-12/h2-4,8,11-12H,5-7,9-10H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 94695408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).