5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

C21H35N5O2 — CID 162450681

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(CC1CC1)C(=O)C1NNC2CCN(C(=O)C3CC4CCCCC4N3)CC21
InChIInChI=1S/C21H35N5O2/c1-25(11-13-6-7-13)21(28)19-15-12-26(9-8-17(15)23-24-19)20(27)18-10-14-4-2-3-5-16(14)22-18/h13-19,22-24H,2-12H2,1H3
InChIKeyNAJGLDBBWIRMNV-UHFFFAOYSA-N
MW389.54 g/mol
LogP0.47
Rot. Bonds4

About 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 162450681) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID162450681
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(CC1CC1)C(=O)C1NNC2CCN(C(=O)C3CC4CCCCC4N3)CC21
InChIInChI=1S/C21H35N5O2/c1-25(11-13-6-7-13)21(28)19-15-12-26(9-8-17(15)23-24-19)20(27)18-10-14-4-2-3-5-16(14)22-18/h13-19,22-24H,2-12H2,1H3
InChIKeyNAJGLDBBWIRMNV-UHFFFAOYSA-N
XLogP0.47
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 162450681) is 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(CC1CC1)C(=O)C1NNC2CCN(C(=O)C3CC4CCCCC4N3)CC21.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NAJGLDBBWIRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-25(11-13-6-7-13)21(28)19-15-12-26(9-8-17(15)23-24-19)20(27)18-10-14-4-2-3-5-16(14)22-18/h13-19,22-24H,2-12H2,1H3.
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 162450681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).