6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C16H21ClN4O — CID 95388376

IUPAC6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H21ClN4O/c1-11(2)20-6-5-12(8-20)7-18-16(22)14-10-21-9-13(17)3-4-15(21)19-14/h3-4,9-12H,5-8H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyCASHEYZMQODECQ-GFCCVEGCSA-N
MW320.82 g/mol
LogP2.45
Rot. Bonds4

About 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 95388376) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID95388376
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)c2cn3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H21ClN4O/c1-11(2)20-6-5-12(8-20)7-18-16(22)14-10-21-9-13(17)3-4-15(21)19-14/h3-4,9-12H,5-8H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyCASHEYZMQODECQ-GFCCVEGCSA-N
XLogP2.45
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 95388376) is 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)N1CC[C@H](CNC(=O)c2cn3cc(Cl)ccc3n2)C1.
What is the InChIKey of 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CASHEYZMQODECQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-11(2)20-6-5-12(8-20)7-18-16(22)14-10-21-9-13(17)3-4-15(21)19-14/h3-4,9-12H,5-8H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 95388376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).