N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

C31H24F2N6O3 — CID 59159929

IUPACN-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cccnc3)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
InChIInChI=1S/C31H24F2N6O3/c1-18-29(31(41)39(38(18)3)23-9-6-21(32)7-10-23)30(40)36-22-8-11-27(25(33)14-22)42-28-13-20-17-35-37(2)26(20)15-24(28)19-5-4-12-34-16-19/h4-17H,1-3H3,(H,36,40)
InChIKeyHUVNBCXNSRPBDA-UHFFFAOYSA-N
MW566.57 g/mol
LogP5.76
Rot. Bonds6

About N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (PubChem CID 59159929) has the molecular formula C31H24F2N6O3 and a molecular weight of 566.57 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
PubChem CID59159929
Molecular FormulaC31H24F2N6O3
Molecular Weight566.57 g/mol
Exact Mass566.19
IUPAC NameN-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cccnc3)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
InChIInChI=1S/C31H24F2N6O3/c1-18-29(31(41)39(38(18)3)23-9-6-21(32)7-10-23)30(40)36-22-8-11-27(25(33)14-22)42-28-13-20-17-35-37(2)26(20)15-24(28)19-5-4-12-34-16-19/h4-17H,1-3H3,(H,36,40)
InChIKeyHUVNBCXNSRPBDA-UHFFFAOYSA-N
XLogP5.76
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (CID 59159929) is N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cccnc3)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C.
What is the InChIKey of N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The InChIKey is HUVNBCXNSRPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N6O3/c1-18-29(31(41)39(38(18)3)23-9-6-21(32)7-10-23)30(40)36-22-8-11-27(25(33)14-22)42-28-13-20-17-35-37(2)26(20)15-24(28)19-5-4-12-34-16-19/h4-17H,1-3H3,(H,36,40).
What are the key properties of N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide has a molecular weight of 566.57 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 59159929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).