(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C25H37N5O — CID 26222484

IUPAC(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C25H37N5O/c1-4-14-30-23-11-10-21(17-22(23)24(27-30)25(31)28(2)3)26-20-12-15-29(16-13-20)18-19-8-6-5-7-9-19/h5-9,20-21,26H,4,10-18H2,1-3H3/t21-/m1/s1
InChIKeyKJHDPBGXFTYZPC-OAQYLSRUSA-N
MW423.61 g/mol
LogP3.11
Rot. Bonds7

About (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide

(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26222484) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26222484
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C25H37N5O/c1-4-14-30-23-11-10-21(17-22(23)24(27-30)25(31)28(2)3)26-20-12-15-29(16-13-20)18-19-8-6-5-7-9-19/h5-9,20-21,26H,4,10-18H2,1-3H3/t21-/m1/s1
InChIKeyKJHDPBGXFTYZPC-OAQYLSRUSA-N
XLogP3.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N,N-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161005
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
N-benzyl-5-(cyclopropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164837
(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26226882
N,N-dimethyl-1-propyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 146641223
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 56857748
(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26231873
N-benzyl-N-methyl-1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 159739256
1-benzyl-N-ethyl-5-(3-hydroxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164384

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26222484) is (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is KJHDPBGXFTYZPC-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H37N5O/c1-4-14-30-23-11-10-21(17-22(23)24(27-30)25(31)28(2)3)26-20-12-15-29(16-13-20)18-19-8-6-5-7-9-19/h5-9,20-21,26H,4,10-18H2,1-3H3/t21-/m1/s1.
What are the key properties of (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 423.61 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26222484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).