(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H32N4O3 — CID 26142306

IUPAC(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)OCCCN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1
InChIInChI=1S/C21H32N4O3/c1-15(2)27-12-6-10-22-16-8-9-19-18(13-16)20(23-25(19)4)21(26)24(3)14-17-7-5-11-28-17/h5,7,11,15-16,22H,6,8-10,12-14H2,1-4H3/t16-/m1/s1
InChIKeyQJQAPHHMMDYPRY-MRXNPFEDSA-N
MW388.51 g/mol
LogP2.55
Rot. Bonds9

About (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26142306) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26142306
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)OCCCN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1
InChIInChI=1S/C21H32N4O3/c1-15(2)27-12-6-10-22-16-8-9-19-18(13-16)20(23-25(19)4)21(26)24(3)14-17-7-5-11-28-17/h5,7,11,15-16,22H,6,8-10,12-14H2,1-4H3/t16-/m1/s1
InChIKeyQJQAPHHMMDYPRY-MRXNPFEDSA-N
XLogP2.55
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160444
(5S)-5-[(2-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26230244
5-[(4-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162389
(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
5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160889
(5S)-N-benzyl-5-(3-ethoxypropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143065
N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161168
N-(furan-2-ylmethyl)-N,1-dimethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164401
N-benzyl-5-[2-(dimethylamino)ethylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159102
N-benzyl-N,1-dimethyl-5-(3-morpholin-4-ylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163436
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26215160
3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45165339

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26142306) is (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)OCCCN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1.
What is the InChIKey of (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is QJQAPHHMMDYPRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(2)27-12-6-10-22-16-8-9-19-18(13-16)20(23-25(19)4)21(26)24(3)14-17-7-5-11-28-17/h5,7,11,15-16,22H,6,8-10,12-14H2,1-4H3/t16-/m1/s1.
What are the key properties of (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26142306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).