N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C27H39N5O — CID 45165470

IUPACN-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CCc2ccccc2)c2c1CC(N1CCC(N3CCCCC3)CC1)CC2
InChIInChI=1S/C27H39N5O/c1-28-27(33)26-24-20-23(31-17-13-22(14-18-31)30-15-6-3-7-16-30)10-11-25(24)32(29-26)19-12-21-8-4-2-5-9-21/h2,4-5,8-9,22-23H,3,6-7,10-20H2,1H3,(H,28,33)
InChIKeyUBGFUQLUBJMSOO-UHFFFAOYSA-N
MW449.64 g/mol
LogP3.29
Rot. Bonds6

About N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45165470) has the molecular formula C27H39N5O and a molecular weight of 449.64 g/mol. Its IUPAC name is N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45165470
Molecular FormulaC27H39N5O
Molecular Weight449.64 g/mol
Exact Mass449.32
IUPAC NameN-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CCc2ccccc2)c2c1CC(N1CCC(N3CCCCC3)CC1)CC2
InChIInChI=1S/C27H39N5O/c1-28-27(33)26-24-20-23(31-17-13-22(14-18-31)30-15-6-3-7-16-30)10-11-25(24)32(29-26)19-12-21-8-4-2-5-9-21/h2,4-5,8-9,22-23H,3,6-7,10-20H2,1H3,(H,28,33)
InChIKeyUBGFUQLUBJMSOO-UHFFFAOYSA-N
XLogP3.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

(5R)-5-(4-hydroxypiperidin-1-yl)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26144826
5-(cyclohexylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162719
5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
(5S)-1-benzyl-N-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143697
5-(diethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161321
5-(2-acetamidoethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160583
N-methyl-5-(2-methylpropylamino)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160989
5-[ethyl(2-methylprop-2-enyl)amino]-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159666
1-benzyl-N-ethyl-5-(4-hydroxypiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164506
1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
(5S)-5-(azepan-1-yl)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95219491
N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164639

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45165470) is N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(CCc2ccccc2)c2c1CC(N1CCC(N3CCCCC3)CC1)CC2.
What is the InChIKey of N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UBGFUQLUBJMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O/c1-28-27(33)26-24-20-23(31-17-13-22(14-18-31)30-15-6-3-7-16-30)10-11-25(24)32(29-26)19-12-21-8-4-2-5-9-21/h2,4-5,8-9,22-23H,3,6-7,10-20H2,1H3,(H,28,33).
What are the key properties of N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 449.64 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45165470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).