N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H30ClN5O — CID 155802874

IUPACN-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc(CN2CCCC2)ccc1Cl)C1NNC2CCC(c3cccnc3)CC21
InChIInChI=1S/C24H30ClN5O/c25-20-7-5-16(15-30-10-1-2-11-30)12-22(20)27-24(31)23-19-13-17(6-8-21(19)28-29-23)18-4-3-9-26-14-18/h3-5,7,9,12,14,17,19,21,23,28-29H,1-2,6,8,10-11,13,15H2,(H,27,31)
InChIKeyHADFKRCTZARJAL-UHFFFAOYSA-N
MW439.99 g/mol
LogP3.70
Rot. Bonds5

About N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 155802874) has the molecular formula C24H30ClN5O and a molecular weight of 439.99 g/mol. Its IUPAC name is N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID155802874
Molecular FormulaC24H30ClN5O
Molecular Weight439.99 g/mol
Exact Mass439.21
IUPAC NameN-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc(CN2CCCC2)ccc1Cl)C1NNC2CCC(c3cccnc3)CC21
InChIInChI=1S/C24H30ClN5O/c25-20-7-5-16(15-30-10-1-2-11-30)12-22(20)27-24(31)23-19-13-17(6-8-21(19)28-29-23)18-4-3-9-26-14-18/h3-5,7,9,12,14,17,19,21,23,28-29H,1-2,6,8,10-11,13,15H2,(H,27,31)
InChIKeyHADFKRCTZARJAL-UHFFFAOYSA-N
XLogP3.70
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

6-methyl-5-pyridin-3-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802872
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 178190016
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802827
N-(6-methoxy-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802816
N-benzyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802792
N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802833
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 45008188
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925587
(5-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 134005143
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 38100346

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 155802874) is N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1cc(CN2CCCC2)ccc1Cl)C1NNC2CCC(c3cccnc3)CC21.
What is the InChIKey of N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is HADFKRCTZARJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O/c25-20-7-5-16(15-30-10-1-2-11-30)12-22(20)27-24(31)23-19-13-17(6-8-21(19)28-29-23)18-4-3-9-26-14-18/h3-5,7,9,12,14,17,19,21,23,28-29H,1-2,6,8,10-11,13,15H2,(H,27,31).
What are the key properties of N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 155802874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).