N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide

C29H34N4O2 — CID 25260110

IUPACN-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
SMILESCCN1CCC[C@@H]1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NC(C)(C)C)cc34)ccc2c1
InChIInChI=1S/C29H34N4O2/c1-5-33-14-6-7-23(33)18-35-24-12-10-19-15-21(9-8-20(19)16-24)27-25-17-22(11-13-26(25)31-32-27)28(34)30-29(2,3)4/h8-13,15-17,23H,5-7,14,18H2,1-4H3,(H,30,34)(H,31,32)/t23-/m1/s1
InChIKeyUTNSYFNRYPXCDP-HSZRJFAPSA-N
MW470.62 g/mol
LogP5.77
Rot. Bonds6

About N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide

N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide (PubChem CID 25260110) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
PubChem CID25260110
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
SMILESCCN1CCC[C@@H]1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NC(C)(C)C)cc34)ccc2c1
InChIInChI=1S/C29H34N4O2/c1-5-33-14-6-7-23(33)18-35-24-12-10-19-15-21(9-8-20(19)16-24)27-25-17-22(11-13-26(25)31-32-27)28(34)30-29(2,3)4/h8-13,15-17,23H,5-7,14,18H2,1-4H3,(H,30,34)(H,31,32)/t23-/m1/s1
InChIKeyUTNSYFNRYPXCDP-HSZRJFAPSA-N
XLogP5.77
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropyl(phenyl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711021
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
N-[cyclopropyl(phenyl)methyl]-3-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxyphenyl]-1H-indazole-5-carboxamide
CID 89509786
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxyphenyl)-1H-indazole-3-carboxamide
CID 89777950
N-[cyclopropyl(phenyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 89971933
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]isoquinolin-1-one
CID 156014825
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]phthalazin-1-one
CID 156019268
3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
CID 22479726
N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 146208909
N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146208999
3-(3-fluoro-2H-indazol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 146209008
3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide
CID 146209074

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide (CID 25260110) is N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide is CCN1CCC[C@@H]1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NC(C)(C)C)cc34)ccc2c1.
What is the InChIKey of N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide?
The InChIKey is UTNSYFNRYPXCDP-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-5-33-14-6-7-23(33)18-35-24-12-10-19-15-21(9-8-20(19)16-24)27-25-17-22(11-13-26(25)31-32-27)28(34)30-29(2,3)4/h8-13,15-17,23H,5-7,14,18H2,1-4H3,(H,30,34)(H,31,32)/t23-/m1/s1.
What are the key properties of N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide?
N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 25260110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).