N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

C18H24N6O — CID 75504292

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CC2CCCCC2N1c1ncccn1
InChIInChI=1S/C18H24N6O/c1-23-14(7-10-22-23)12-21-17(25)16-11-13-5-2-3-6-15(13)24(16)18-19-8-4-9-20-18/h4,7-10,13,15-16H,2-3,5-6,11-12H2,1H3,(H,21,25)
InChIKeyWFWUGSZYJRCPCV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.66
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (PubChem CID 75504292) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
PubChem CID75504292
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CC2CCCCC2N1c1ncccn1
InChIInChI=1S/C18H24N6O/c1-23-14(7-10-22-23)12-21-17(25)16-11-13-5-2-3-6-15(13)24(16)18-19-8-4-9-20-18/h4,7-10,13,15-16H,2-3,5-6,11-12H2,1H3,(H,21,25)
InChIKeyWFWUGSZYJRCPCV-UHFFFAOYSA-N
XLogP1.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3aS,7aS)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 97352414
N-(2-methoxy-2-methylpropyl)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 75523158
(2S,3aR,7aS)-N-[2-[ethyl(methyl)amino]ethyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 98892065
(2S,3aS,7aS)-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 30121070
3-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119727673
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
1-cyclopentyl-N-[(2-methylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86979242
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884
(1S,6R)-6-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 26871279
N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 166191616
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (CID 75504292) is N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide is Cn1nccc1CNC(=O)C1CC2CCCCC2N1c1ncccn1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The InChIKey is WFWUGSZYJRCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23-14(7-10-22-23)12-21-17(25)16-11-13-5-2-3-6-15(13)24(16)18-19-8-4-9-20-18/h4,7-10,13,15-16H,2-3,5-6,11-12H2,1H3,(H,21,25).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-pyrimidin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide is sourced from PubChem (CID 75504292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).