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

C27H21ClFN5O4 — CID 162666460

IUPAC1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C27H21ClFN5O4/c1-15-12-24(35)34(19-7-4-17(28)5-8-19)33-25(15)27(37)31-18-6-9-22(21(29)13-18)38-20-10-11-30-23(14-20)32-26(36)16-2-3-16/h4-14,16H,2-3H2,1H3,(H,31,37)(H,30,32,36)
InChIKeyHQFCPZJSXPMAOY-UHFFFAOYSA-N
MW533.95 g/mol
LogP5.12
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 162666460) has the molecular formula C27H21ClFN5O4 and a molecular weight of 533.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide
PubChem CID162666460
Molecular FormulaC27H21ClFN5O4
Molecular Weight533.95 g/mol
Exact Mass533.13
IUPAC Name1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C27H21ClFN5O4/c1-15-12-24(35)34(19-7-4-17(28)5-8-19)33-25(15)27(37)31-18-6-9-22(21(29)13-18)38-20-10-11-30-23(14-20)32-26(36)16-2-3-16/h4-14,16H,2-3H2,1H3,(H,31,37)(H,30,32,36)
InChIKeyHQFCPZJSXPMAOY-UHFFFAOYSA-N
XLogP5.12
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.95
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide (CID 162666460) is 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HQFCPZJSXPMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN5O4/c1-15-12-24(35)34(19-7-4-17(28)5-8-19)33-25(15)27(37)31-18-6-9-22(21(29)13-18)38-20-10-11-30-23(14-20)32-26(36)16-2-3-16/h4-14,16H,2-3H2,1H3,(H,31,37)(H,30,32,36).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 533.95 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 162666460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).