2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

C31H26FN5O2 — CID 53378804

IUPAC2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ncc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)cc12
InChIInChI=1S/C31H26FN5O2/c1-19-8-9-21(29(38)35-31(14-15-31)23-6-4-3-5-7-23)16-25(19)22-17-26-27(30(39)33-2)28(36-37(26)34-18-22)20-10-12-24(32)13-11-20/h3-13,16-18H,14-15H2,1-2H3,(H,33,39)(H,35,38)
InChIKeyNJUZUQINYCJCBZ-UHFFFAOYSA-N
MW519.58 g/mol
LogP5.29
Rot. Bonds6

About 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (PubChem CID 53378804) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
PubChem CID53378804
Molecular FormulaC31H26FN5O2
Molecular Weight519.58 g/mol
Exact Mass519.21
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ncc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)cc12
InChIInChI=1S/C31H26FN5O2/c1-19-8-9-21(29(38)35-31(14-15-31)23-6-4-3-5-7-23)16-25(19)22-17-26-27(30(39)33-2)28(36-37(26)34-18-22)20-10-12-24(32)13-11-20/h3-13,16-18H,14-15H2,1-2H3,(H,33,39)(H,35,38)
InChIKeyNJUZUQINYCJCBZ-UHFFFAOYSA-N
XLogP5.29
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(4-fluorophenyl)-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carbonyl]-N-methylcarbamate
CID 66763708
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275443
5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-b]pyridazin-5-yl]-2-methoxy-4-methylbenzoic acid
CID 66763514
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275695
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
2-(4-fluorophenyl)-5-[2-fluoro-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-6-(methanesulfonamido)-N-methyl-1-benzofuran-3-carboxamide
CID 59275167
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91512542
3-(1-aminopyridazin-1-ium-4-yl)-4-methyl-N-(1-phenylcyclopropyl)benzamide;2,4,6-trimethylbenzenesulfonate
CID 86662452
N-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 87409425
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233837
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide (CID 53378804) is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ncc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
The InChIKey is NJUZUQINYCJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2/c1-19-8-9-21(29(38)35-31(14-15-31)23-6-4-3-5-7-23)16-25(19)22-17-26-27(30(39)33-2)28(36-37(26)34-18-22)20-10-12-24(32)13-11-20/h3-13,16-18H,14-15H2,1-2H3,(H,33,39)(H,35,38).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide has a molecular weight of 519.58 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide is sourced from PubChem (CID 53378804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).