N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide

C24H31N7O2 — CID 143600789

IUPACN-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cn[nH]c1C1=NC2CCC(CN3CCOCC3)CC2N1)N1CCc2ccccc21
InChIInChI=1S/C24H31N7O2/c32-24(31-8-7-17-3-1-2-4-21(17)31)28-20-14-25-29-22(20)23-26-18-6-5-16(13-19(18)27-23)15-30-9-11-33-12-10-30/h1-4,14,16,18-19H,5-13,15H2,(H,25,29)(H,26,27)(H,28,32)
InChIKeyDTFVEOXCINBRKQ-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.22
Rot. Bonds4

About N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide

N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 143600789) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID143600789
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC NameN-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cn[nH]c1C1=NC2CCC(CN3CCOCC3)CC2N1)N1CCc2ccccc21
InChIInChI=1S/C24H31N7O2/c32-24(31-8-7-17-3-1-2-4-21(17)31)28-20-14-25-29-22(20)23-26-18-6-5-16(13-19(18)27-23)15-30-9-11-33-12-10-30/h1-4,14,16,18-19H,5-13,15H2,(H,25,29)(H,26,27)(H,28,32)
InChIKeyDTFVEOXCINBRKQ-UHFFFAOYSA-N
XLogP2.22
TPSA97.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide with MolForge

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Related Compounds

N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20944006
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432875
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide (CID 143600789) is N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide is O=C(Nc1cn[nH]c1C1=NC2CCC(CN3CCOCC3)CC2N1)N1CCc2ccccc21.
What is the InChIKey of N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is DTFVEOXCINBRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c32-24(31-8-7-17-3-1-2-4-21(17)31)28-20-14-25-29-22(20)23-26-18-6-5-16(13-19(18)27-23)15-30-9-11-33-12-10-30/h1-4,14,16,18-19H,5-13,15H2,(H,25,29)(H,26,27)(H,28,32).
What are the key properties of N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide?
N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(morpholin-4-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 143600789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).