N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide

C25H30ClFN4O3 — CID 11049238

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N(Cc3c(F)cccc3Cl)C(C)C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H30ClFN4O3/c1-17(2)30(16-19-20(26)7-5-8-21(19)27)25(32)23-18-6-4-9-22(33-3)24(18)31(28-23)11-10-29-12-14-34-15-13-29/h4-9,17H,10-16H2,1-3H3
InChIKeyVPJMJBQWFJCWSV-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.22
Rot. Bonds8

About N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide (PubChem CID 11049238) has the molecular formula C25H30ClFN4O3 and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
PubChem CID11049238
Molecular FormulaC25H30ClFN4O3
Molecular Weight488.99 g/mol
Exact Mass488.20
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N(Cc3c(F)cccc3Cl)C(C)C)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H30ClFN4O3/c1-17(2)30(16-19-20(26)7-5-8-21(19)27)25(32)23-18-6-4-9-22(33-3)24(18)31(28-23)11-10-29-12-14-34-15-13-29/h4-9,17H,10-16H2,1-3H3
InChIKeyVPJMJBQWFJCWSV-UHFFFAOYSA-N
XLogP4.22
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide
CID 10159384
7-methoxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46233636
5-[4-[(2-Chloro-6-fluorobenzoyl)-(trideuteriomethyl)amino]-3-(2,2,2-trifluoroethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 122184103
1-[6-(4-Chlorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 91889704
6-(4-Chlorophenyl)-N-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889810
N-(4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 10157700
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
CID 18765273
N-(2-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765341
N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765398
N-(2-bromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765485
N-(2,6-dibromo-4-fluorophenyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765493

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide (CID 11049238) is N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide is COc1cccc2c(C(=O)N(Cc3c(F)cccc3Cl)C(C)C)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
The InChIKey is VPJMJBQWFJCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN4O3/c1-17(2)30(16-19-20(26)7-5-8-21(19)27)25(32)23-18-6-4-9-22(33-3)24(18)31(28-23)11-10-29-12-14-34-15-13-29/h4-9,17H,10-16H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide has a molecular weight of 488.99 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 11049238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).