N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C18H24N6O — CID 52986439

IUPACN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)C2NNC3CCCCC32)ccn1
InChIInChI=1S/C18H24N6O/c1-12-19-8-9-24(12)16-10-13(6-7-20-16)11-21-18(25)17-14-4-2-3-5-15(14)22-23-17/h6-10,14-15,17,22-23H,2-5,11H2,1H3,(H,21,25)
InChIKeySDNWBDKANGIXPI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.23
Rot. Bonds4

About N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 52986439) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID52986439
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)C2NNC3CCCCC32)ccn1
InChIInChI=1S/C18H24N6O/c1-12-19-8-9-24(12)16-10-13(6-7-20-16)11-21-18(25)17-14-4-2-3-5-15(14)22-23-17/h6-10,14-15,17,22-23H,2-5,11H2,1H3,(H,21,25)
InChIKeySDNWBDKANGIXPI-UHFFFAOYSA-N
XLogP1.23
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 47037457
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55726057
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
1-(3-bromophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 55847742
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
CID 47038251
methyl 2-[4-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55725962
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119848273
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42961808
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050392

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 52986439) is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is Cc1nccn1-c1cc(CNC(=O)C2NNC3CCCCC32)ccn1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is SDNWBDKANGIXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-19-8-9-24(12)16-10-13(6-7-20-16)11-21-18(25)17-14-4-2-3-5-15(14)22-23-17/h6-10,14-15,17,22-23H,2-5,11H2,1H3,(H,21,25).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 52986439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).