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

C25H34N6O — CID 155802827

IUPACN-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1cncc(NC(=O)C2NNC3CCC(c4cncc(CN5CCCCC5)c4)CC32)c1
InChIInChI=1S/C25H34N6O/c1-17-9-21(15-26-12-17)28-25(32)24-22-11-19(5-6-23(22)29-30-24)20-10-18(13-27-14-20)16-31-7-3-2-4-8-31/h9-10,12-15,19,22-24,29-30H,2-8,11,16H2,1H3,(H,28,32)
InChIKeyCVTNMEIRYBNLDS-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.14
Rot. Bonds5

About 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

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 (PubChem CID 155802827) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID155802827
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC NameN-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1cncc(NC(=O)C2NNC3CCC(c4cncc(CN5CCCCC5)c4)CC32)c1
InChIInChI=1S/C25H34N6O/c1-17-9-21(15-26-12-17)28-25(32)24-22-11-19(5-6-23(22)29-30-24)20-10-18(13-27-14-20)16-31-7-3-2-4-8-31/h9-10,12-15,19,22-24,29-30H,2-8,11,16H2,1H3,(H,28,32)
InChIKeyCVTNMEIRYBNLDS-UHFFFAOYSA-N
XLogP3.14
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[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
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-[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
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
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
7-[5-(azepan-1-ylmethyl)-3-pyridinyl]-4-methyl-N-(5-methyl-3-pyridinyl)-1,4-dihydrophthalazine-1-carboxamide
CID 123305571
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103814554
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cncc(NC(=O)C2NNC3CCC(c4cncc(CN5CCCCC5)c4)CC32)c1.
What is the InChIKey of 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?
The InChIKey is CVTNMEIRYBNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-17-9-21(15-26-12-17)28-25(32)24-22-11-19(5-6-23(22)29-30-24)20-10-18(13-27-14-20)16-31-7-3-2-4-8-31/h9-10,12-15,19,22-24,29-30H,2-8,11,16H2,1H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 434.59 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155802827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).