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

C24H21F2N5O2 — CID 56941943

IUPAC4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2cccc(F)c2F)CCO1
InChIInChI=1S/C24H21F2N5O2/c25-19-3-1-2-16(22(19)26)13-31-10-11-33-21(14-31)24(32)28-17-4-5-20-18(12-17)23(30-29-20)15-6-8-27-9-7-15/h1-9,12,21H,10-11,13-14H2,(H,28,32)(H,29,30)
InChIKeyKYLAYSMCNXNUGP-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.74
Rot. Bonds5

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

4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (PubChem CID 56941943) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
PubChem CID56941943
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2cccc(F)c2F)CCO1
InChIInChI=1S/C24H21F2N5O2/c25-19-3-1-2-16(22(19)26)13-31-10-11-33-21(14-31)24(32)28-17-4-5-20-18(12-17)23(30-29-20)15-6-8-27-9-7-15/h1-9,12,21H,10-11,13-14H2,(H,28,32)(H,29,30)
InChIKeyKYLAYSMCNXNUGP-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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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide
CID 66615149
4-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816074
2-[[4-[(3-naphthalen-1-yl-1H-indazol-5-yl)carbamoyl]piperidin-1-yl]methyl]benzoic acid
CID 22260715
(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
CID 97259995
5-[[4-[(2-methylphenyl)methyl]thiomorpholine-2-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 66634588
N-(4-fluorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59794158
N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652274
N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652288
1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
CID 86710981
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382251
1-(2-fluorophenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]urea
CID 86710953

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (CID 56941943) is 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2cccc(F)c2F)CCO1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The InChIKey is KYLAYSMCNXNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c25-19-3-1-2-16(22(19)26)13-31-10-11-33-21(14-31)24(32)28-17-4-5-20-18(12-17)23(30-29-20)15-6-8-27-9-7-15/h1-9,12,21H,10-11,13-14H2,(H,28,32)(H,29,30).
What are the key properties of 4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
4-[(2,3-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-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 56941943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).