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

C24H21F2N5O2 — CID 56942373

IUPAC4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C24H21F2N5O2/c25-17-2-1-16(20(26)11-17)13-31-9-10-33-22(14-31)24(32)28-18-3-4-21-19(12-18)23(30-29-21)15-5-7-27-8-6-15/h1-8,11-12,22H,9-10,13-14H2,(H,28,32)(H,29,30)
InChIKeyQDADQVZHNKNPOU-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.74
Rot. Bonds5

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

4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (PubChem CID 56942373) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
PubChem CID56942373
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C24H21F2N5O2/c25-17-2-1-16(20(26)11-17)13-31-9-10-33-22(14-31)24(32)28-18-3-4-21-19(12-18)23(30-29-21)15-5-7-27-8-6-15/h1-8,11-12,22H,9-10,13-14H2,(H,28,32)(H,29,30)
InChIKeyQDADQVZHNKNPOU-UHFFFAOYSA-N
XLogP3.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (CID 56942373) is 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccc(F)cc2F)CCO1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The InChIKey is QDADQVZHNKNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c25-17-2-1-16(20(26)11-17)13-31-9-10-33-22(14-31)24(32)28-18-3-4-21-19(12-18)23(30-29-21)15-5-7-27-8-6-15/h1-8,11-12,22H,9-10,13-14H2,(H,28,32)(H,29,30).
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 56942373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).