4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide

C26H26FN5O4 — CID 56941940

IUPAC4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESCOc1cc(F)c(CN2CCOC(C(=O)Nc3ccc4[nH]nc(-c5ccncc5)c4c3)C2)cc1OC
InChIInChI=1S/C26H26FN5O4/c1-34-22-11-17(20(27)13-23(22)35-2)14-32-9-10-36-24(15-32)26(33)29-18-3-4-21-19(12-18)25(31-30-21)16-5-7-28-8-6-16/h3-8,11-13,24H,9-10,14-15H2,1-2H3,(H,29,33)(H,30,31)
InChIKeySHIIEZPBXAYKRW-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.62
Rot. Bonds7

About 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (PubChem CID 56941940) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
PubChem CID56941940
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESCOc1cc(F)c(CN2CCOC(C(=O)Nc3ccc4[nH]nc(-c5ccncc5)c4c3)C2)cc1OC
InChIInChI=1S/C26H26FN5O4/c1-34-22-11-17(20(27)13-23(22)35-2)14-32-9-10-36-24(15-32)26(33)29-18-3-4-21-19(12-18)25(31-30-21)16-5-7-28-8-6-16/h3-8,11-13,24H,9-10,14-15H2,1-2H3,(H,29,33)(H,30,31)
InChIKeySHIIEZPBXAYKRW-UHFFFAOYSA-N
XLogP3.62
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (CID 56941940) is 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is COc1cc(F)c(CN2CCOC(C(=O)Nc3ccc4[nH]nc(-c5ccncc5)c4c3)C2)cc1OC.
What is the InChIKey of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The InChIKey is SHIIEZPBXAYKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-34-22-11-17(20(27)13-23(22)35-2)14-32-9-10-36-24(15-32)26(33)29-18-3-4-21-19(12-18)25(31-30-21)16-5-7-28-8-6-16/h3-8,11-13,24H,9-10,14-15H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 56941940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).