N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide

C27H22FN5O4 — CID 151150773

IUPACN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C27H22FN5O4/c1-16-13-24(34)33(19-5-3-2-4-6-19)32-25(16)27(36)30-18-9-10-22(21(28)14-18)37-20-11-12-29-23(15-20)31-26(35)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,30,36)(H,29,31,35)
InChIKeyMYEFHZKMOMETBK-UHFFFAOYSA-N
MW499.50 g/mol
LogP4.47
Rot. Bonds7

About N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 151150773) has the molecular formula C27H22FN5O4 and a molecular weight of 499.50 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID151150773
Molecular FormulaC27H22FN5O4
Molecular Weight499.50 g/mol
Exact Mass499.17
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C27H22FN5O4/c1-16-13-24(34)33(19-5-3-2-4-6-19)32-25(16)27(36)30-18-9-10-22(21(28)14-18)37-20-11-12-29-23(15-20)31-26(35)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,30,36)(H,29,31,35)
InChIKeyMYEFHZKMOMETBK-UHFFFAOYSA-N
XLogP4.47
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide (CID 151150773) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.
What is the InChIKey of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is MYEFHZKMOMETBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O4/c1-16-13-24(34)33(19-5-3-2-4-6-19)32-25(16)27(36)30-18-9-10-22(21(28)14-18)37-20-11-12-29-23(15-20)31-26(35)17-7-8-17/h2-6,9-15,17H,7-8H2,1H3,(H,30,36)(H,29,31,35).
What are the key properties of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 151150773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).