N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

C17H21N3O2S — CID 99627087

IUPACN-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCSc1nc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)c2ccccn12
InChIInChI=1S/C17H21N3O2S/c1-23-17-19-15(13-4-2-3-7-20(13)17)16(22)18-14-11-6-5-10(8-11)12(14)9-21/h2-4,7,10-12,14,21H,5-6,8-9H2,1H3,(H,18,22)/t10-,11-,12-,14-/m0/s1
InChIKeyOZMNSUNWYRXCCN-MNXVOIDGSA-N
MW331.44 g/mol
LogP2.19
Rot. Bonds4

About N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 99627087) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID99627087
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCSc1nc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)c2ccccn12
InChIInChI=1S/C17H21N3O2S/c1-23-17-19-15(13-4-2-3-7-20(13)17)16(22)18-14-11-6-5-10(8-11)12(14)9-21/h2-4,7,10-12,14,21H,5-6,8-9H2,1H3,(H,18,22)/t10-,11-,12-,14-/m0/s1
InChIKeyOZMNSUNWYRXCCN-MNXVOIDGSA-N
XLogP2.19
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Related Compounds

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3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (CID 99627087) is N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is CSc1nc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)c2ccccn12.
What is the InChIKey of N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OZMNSUNWYRXCCN-MNXVOIDGSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-23-17-19-15(13-4-2-3-7-20(13)17)16(22)18-14-11-6-5-10(8-11)12(14)9-21/h2-4,7,10-12,14,21H,5-6,8-9H2,1H3,(H,18,22)/t10-,11-,12-,14-/m0/s1.
What are the key properties of N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 99627087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).