N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C26H19F2N5O3 — CID 59463217

IUPACN-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccnc1Oc1ccc(F)cc1F)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C26H19F2N5O3/c27-17-9-10-24(19(28)13-17)36-25-20(7-4-12-30-25)31-26(35)33-22(18-6-1-2-8-23(18)34)14-21(32-33)16-5-3-11-29-15-16/h1-13,15,22,34H,14H2,(H,31,35)
InChIKeySMBNQQOSMJZFAR-UHFFFAOYSA-N
MW487.47 g/mol
LogP5.64
Rot. Bonds5

About N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463217) has the molecular formula C26H19F2N5O3 and a molecular weight of 487.47 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463217
Molecular FormulaC26H19F2N5O3
Molecular Weight487.47 g/mol
Exact Mass487.15
IUPAC NameN-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccnc1Oc1ccc(F)cc1F)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C26H19F2N5O3/c27-17-9-10-24(19(28)13-17)36-25-20(7-4-12-30-25)31-26(35)33-22(18-6-1-2-8-23(18)34)14-21(32-33)16-5-3-11-29-15-16/h1-13,15,22,34H,14H2,(H,31,35)
InChIKeySMBNQQOSMJZFAR-UHFFFAOYSA-N
XLogP5.64
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463217) is N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccnc1Oc1ccc(F)cc1F)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is SMBNQQOSMJZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O3/c27-17-9-10-24(19(28)13-17)36-25-20(7-4-12-30-25)31-26(35)33-22(18-6-1-2-8-23(18)34)14-21(32-33)16-5-3-11-29-15-16/h1-13,15,22,34H,14H2,(H,31,35).
What are the key properties of N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).