N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide

C19H26N4O — CID 71753799

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21
InChIInChI=1S/C19H26N4O/c1-22-17-10-3-2-8-15(17)18(21-22)19(24)20-13-14-7-6-12-23-11-5-4-9-16(14)23/h2-3,8,10,14,16H,4-7,9,11-13H2,1H3,(H,20,24)/t14-,16+/m0/s1
InChIKeyBVNOCQFUEAJMIL-GOEBONIOSA-N
MW326.44 g/mol
LogP2.57
Rot. Bonds3

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide (PubChem CID 71753799) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide
PubChem CID71753799
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21
InChIInChI=1S/C19H26N4O/c1-22-17-10-3-2-8-15(17)18(21-22)19(24)20-13-14-7-6-12-23-11-5-4-9-16(14)23/h2-3,8,10,14,16H,4-7,9,11-13H2,1H3,(H,20,24)/t14-,16+/m0/s1
InChIKeyBVNOCQFUEAJMIL-GOEBONIOSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide (CID 71753799) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide?
The InChIKey is BVNOCQFUEAJMIL-GOEBONIOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22-17-10-3-2-8-15(17)18(21-22)19(24)20-13-14-7-6-12-23-11-5-4-9-16(14)23/h2-3,8,10,14,16H,4-7,9,11-13H2,1H3,(H,20,24)/t14-,16+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 71753799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).