5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C27H29N5O2 — CID 45164567

IUPAC5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc2ccccc2c1CNC1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1
InChIInChI=1S/C27H29N5O2/c1-32-24-9-8-20(29-17-23-21-6-4-3-5-19(21)7-10-25(23)34-2)15-22(24)26(31-32)27(33)30-16-18-11-13-28-14-12-18/h3-7,10-14,20,29H,8-9,15-17H2,1-2H3,(H,30,33)
InChIKeyYMEBTIMZQBJRAN-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.55
Rot. Bonds7

About 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45164567) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45164567
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc2ccccc2c1CNC1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1
InChIInChI=1S/C27H29N5O2/c1-32-24-9-8-20(29-17-23-21-6-4-3-5-19(21)7-10-25(23)34-2)15-22(24)26(31-32)27(33)30-16-18-11-13-28-14-12-18/h3-7,10-14,20,29H,8-9,15-17H2,1-2H3,(H,30,33)
InChIKeyYMEBTIMZQBJRAN-UHFFFAOYSA-N
XLogP3.55
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(5R)-5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26223856
1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165418
N-benzyl-5-[(4-methoxyphenyl)methylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162273
5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165291
(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
1-methyl-5-[(2-methylphenyl)methylamino]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162368
N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165457
[1-methyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 122684082
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215
azepan-1-yl-[(5S)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26143098
[(5R)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26141742

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45164567) is 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1ccc2ccccc2c1CNC1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1.
What is the InChIKey of 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is YMEBTIMZQBJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-32-24-9-8-20(29-17-23-21-6-4-3-5-19(21)7-10-25(23)34-2)15-22(24)26(31-32)27(33)30-16-18-11-13-28-14-12-18/h3-7,10-14,20,29H,8-9,15-17H2,1-2H3,(H,30,33).
What are the key properties of 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45164567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).