5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C28H31N5O — CID 127037293

IUPAC5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(CCc5ccccc5)CC4)c3c2)cn1
InChIInChI=1S/C28H31N5O/c1-20-7-8-24(19-29-20)23-9-10-26-25(17-23)27(32-31-26)28(34)30-18-22-12-15-33(16-13-22)14-11-21-5-3-2-4-6-21/h2-10,17,19,22H,11-16,18H2,1H3,(H,30,34)(H,31,32)
InChIKeyYDMOMCRGMFVEGE-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.62
Rot. Bonds7

About 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 127037293) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID127037293
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(CCc5ccccc5)CC4)c3c2)cn1
InChIInChI=1S/C28H31N5O/c1-20-7-8-24(19-29-20)23-9-10-26-25(17-23)27(32-31-26)28(34)30-18-22-12-15-33(16-13-22)14-11-21-5-3-2-4-6-21/h2-10,17,19,22H,11-16,18H2,1H3,(H,30,34)(H,31,32)
InChIKeyYDMOMCRGMFVEGE-UHFFFAOYSA-N
XLogP4.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-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

N-[[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide;hydrochloride
CID 11362763
5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 171446161
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134807137
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide
CID 118382272

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 127037293) is 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is Cc1ccc(-c2ccc3[nH]nc(C(=O)NCC4CCN(CCc5ccccc5)CC4)c3c2)cn1.
What is the InChIKey of 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is YDMOMCRGMFVEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-20-7-8-24(19-29-20)23-9-10-26-25(17-23)27(32-31-26)28(34)30-18-22-12-15-33(16-13-22)14-11-21-5-3-2-4-6-21/h2-10,17,19,22H,11-16,18H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127037293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).