1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C27H32N4O2 — CID 45159660

IUPAC1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CCC(N1CC=C(c3ccccc3)CC1)C2
InChIInChI=1S/C27H32N4O2/c1-3-31-25-10-9-23(30-14-11-22(12-15-30)21-7-5-4-6-8-21)17-24(25)26(28-31)27(32)29(2)18-20-13-16-33-19-20/h4-8,11,13,16,19,23H,3,9-10,12,14-15,17-18H2,1-2H3
InChIKeyDHOIPYGNMNTDRG-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.41
Rot. Bonds6

About 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45159660) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45159660
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CCC(N1CC=C(c3ccccc3)CC1)C2
InChIInChI=1S/C27H32N4O2/c1-3-31-25-10-9-23(30-14-11-22(12-15-30)21-7-5-4-6-8-21)17-24(25)26(28-31)27(32)29(2)18-20-13-16-33-19-20/h4-8,11,13,16,19,23H,3,9-10,12,14-15,17-18H2,1-2H3
InChIKeyDHOIPYGNMNTDRG-UHFFFAOYSA-N
XLogP4.41
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165490
N-benzyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160857
(5S)-1-benzyl-N-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143697
N-(furan-2-ylmethyl)-N,1-dimethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164401
N-benzyl-5-(dimethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162365
N-benzyl-5-hydroxy-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 131952523
5-[cyclopropylmethyl(propyl)amino]-1-ethyl-N-(furan-2-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165441
N-(furan-2-ylmethyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164396
1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164506
1-ethyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56703728
1-ethyl-N-(furan-2-ylmethyl)-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165066
5-[4-(acetamidomethyl)piperidin-1-yl]-1-ethyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56704147

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45159660) is 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CCC(N1CC=C(c3ccccc3)CC1)C2.
What is the InChIKey of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is DHOIPYGNMNTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-31-25-10-9-23(30-14-11-22(12-15-30)21-7-5-4-6-8-21)17-24(25)26(28-31)27(32)29(2)18-20-13-16-33-19-20/h4-8,11,13,16,19,23H,3,9-10,12,14-15,17-18H2,1-2H3.
What are the key properties of 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45159660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).