N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C26H39N5O3 — CID 45161168

IUPACN-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1nn(C)c2c1CC(NCC1(N3CCOCC3)CCCCC1)CC2
InChIInChI=1S/C26H39N5O3/c1-29(18-21-7-6-14-34-21)25(32)24-22-17-20(8-9-23(22)30(2)28-24)27-19-26(10-4-3-5-11-26)31-12-15-33-16-13-31/h6-7,14,20,27H,3-5,8-13,15-19H2,1-2H3
InChIKeyZPFLUHIWLSSMFW-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.77
Rot. Bonds7

About N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45161168) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45161168
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC NameN-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1nn(C)c2c1CC(NCC1(N3CCOCC3)CCCCC1)CC2
InChIInChI=1S/C26H39N5O3/c1-29(18-21-7-6-14-34-21)25(32)24-22-17-20(8-9-23(22)30(2)28-24)27-19-26(10-4-3-5-11-26)31-12-15-33-16-13-31/h6-7,14,20,27H,3-5,8-13,15-19H2,1-2H3
InChIKeyZPFLUHIWLSSMFW-UHFFFAOYSA-N
XLogP2.77
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162389
5-[2-(4-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160444
(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26142306
(5S)-5-[(2-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26230244
(5R)-5-(2,3-dihydro-1H-inden-2-ylamino)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26230872
[(5S)-1-methyl-5-[(1-piperidin-1-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51656926
5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160889
N-(furan-2-ylmethyl)-N,1-dimethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164401
[1-methyl-5-[(1-piperidin-1-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45160967
N-benzyl-N,1-dimethyl-5-(3-morpholin-4-ylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163436
N-(furan-2-ylmethyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164396
1-ethyl-N-(furan-2-ylmethyl)-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165066

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45161168) is N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(Cc1ccco1)C(=O)c1nn(C)c2c1CC(NCC1(N3CCOCC3)CCCCC1)CC2.
What is the InChIKey of N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ZPFLUHIWLSSMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-29(18-21-7-6-14-34-21)25(32)24-22-17-20(8-9-23(22)30(2)28-24)27-19-26(10-4-3-5-11-26)31-12-15-33-16-13-31/h6-7,14,20,27H,3-5,8-13,15-19H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45161168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).