7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide

C27H29N5O3 — CID 10906799

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)
InChIKeyLFFHJYBWSPYGOB-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.29
Rot. Bonds8

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide (PubChem CID 10906799) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide
PubChem CID10906799
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)
InChIKeyLFFHJYBWSPYGOB-UHFFFAOYSA-N
XLogP3.29
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9951086, Example 68
CID 118173098
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 6321193
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-3-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958721
1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
CID 44191040
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
CID 46919792
Npb-22
CID 118796435
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide (CID 10906799) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide is COc1cccc2c(C(=O)NC(c3ccccc3)c3ccccn3)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
The InChIKey is LFFHJYBWSPYGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[phenyl(pyridin-2-yl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 10906799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).