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

C20H31ClFN5O2 — CID 162450574

IUPAC5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C(=O)C1NNC2CCN(C(=O)C3CC4C(CCC(F)C4Cl)N3)CC21)C1CC1
InChIInChI=1S/C20H31ClFN5O2/c1-26(10-2-3-10)20(29)18-12-9-27(7-6-15(12)24-25-18)19(28)16-8-11-14(23-16)5-4-13(22)17(11)21/h10-18,23-25H,2-9H2,1H3
InChIKeyZSGVCJHKPUPAMP-UHFFFAOYSA-N
MW427.95 g/mol
LogP0.39
Rot. Bonds3

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

5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 162450574) has the molecular formula C20H31ClFN5O2 and a molecular weight of 427.95 g/mol. Its IUPAC name is 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID162450574
Molecular FormulaC20H31ClFN5O2
Molecular Weight427.95 g/mol
Exact Mass427.22
IUPAC Name5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C(=O)C1NNC2CCN(C(=O)C3CC4C(CCC(F)C4Cl)N3)CC21)C1CC1
InChIInChI=1S/C20H31ClFN5O2/c1-26(10-2-3-10)20(29)18-12-9-27(7-6-15(12)24-25-18)19(28)16-8-11-14(23-16)5-4-13(22)17(11)21/h10-18,23-25H,2-9H2,1H3
InChIKeyZSGVCJHKPUPAMP-UHFFFAOYSA-N
XLogP0.39
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-chloro-4-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(methoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 162450576
N-[1-(methoxymethyl)cyclopropyl]-N-methyl-5-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 146753483
[3-(1-bicyclo[1.1.1]pentanyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(4,5-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)methanone
CID 162450663
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
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-methyl-N-[2-(tetrazolidin-5-yl)ethyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 162450594
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 162450566
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(3,3-difluoroazetidine-1-carbonyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 162450660
(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-[2-(oxolan-3-ylmethylamino)-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 164704901
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843254
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678313
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119345006
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 162450574) is 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C(=O)C1NNC2CCN(C(=O)C3CC4C(CCC(F)C4Cl)N3)CC21)C1CC1.
What is the InChIKey of 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ZSGVCJHKPUPAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClFN5O2/c1-26(10-2-3-10)20(29)18-12-9-27(7-6-15(12)24-25-18)19(28)16-8-11-14(23-16)5-4-13(22)17(11)21/h10-18,23-25H,2-9H2,1H3.
What are the key properties of 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 427.95 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-cyclopropyl-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 162450574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).