N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide

C16H17N5O — CID 129331119

IUPACN-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide
SMILESO=C(NC[C@H]1CCn2ccnc2C1)c1cccc2[nH]ncc12
InChIInChI=1S/C16H17N5O/c22-16(12-2-1-3-14-13(12)10-19-20-14)18-9-11-4-6-21-7-5-17-15(21)8-11/h1-3,5,7,10-11H,4,6,8-9H2,(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyIXGXCFGZJKSUHW-NSHDSACASA-N
MW295.35 g/mol
LogP1.75
Rot. Bonds3

About N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide

N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide (PubChem CID 129331119) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide
PubChem CID129331119
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide
SMILESO=C(NC[C@H]1CCn2ccnc2C1)c1cccc2[nH]ncc12
InChIInChI=1S/C16H17N5O/c22-16(12-2-1-3-14-13(12)10-19-20-14)18-9-11-4-6-21-7-5-17-15(21)8-11/h1-3,5,7,10-11H,4,6,8-9H2,(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyIXGXCFGZJKSUHW-NSHDSACASA-N
XLogP1.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide (CID 129331119) is N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide is O=C(NC[C@H]1CCn2ccnc2C1)c1cccc2[nH]ncc12.
What is the InChIKey of N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide?
The InChIKey is IXGXCFGZJKSUHW-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5O/c22-16(12-2-1-3-14-13(12)10-19-20-14)18-9-11-4-6-21-7-5-17-15(21)8-11/h1-3,5,7,10-11H,4,6,8-9H2,(H,18,22)(H,19,20)/t11-/m0/s1.
What are the key properties of N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide?
N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 129331119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).