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

C27H21F2N5O4 — CID 162644086

IUPACN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2F)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C27H21F2N5O4/c1-15-12-24(35)34(21-5-3-2-4-19(21)28)33-25(15)27(37)31-17-8-9-22(20(29)13-17)38-18-10-11-30-23(14-18)32-26(36)16-6-7-16/h2-5,8-14,16H,6-7H2,1H3,(H,31,37)(H,30,32,36)
InChIKeyOMDYUBVVUBSINQ-UHFFFAOYSA-N
MW517.49 g/mol
LogP4.61
Rot. Bonds7

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

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 162644086) has the molecular formula C27H21F2N5O4 and a molecular weight of 517.49 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
PubChem CID162644086
Molecular FormulaC27H21F2N5O4
Molecular Weight517.49 g/mol
Exact Mass517.16
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccccc2F)nc1C(=O)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChIInChI=1S/C27H21F2N5O4/c1-15-12-24(35)34(21-5-3-2-4-19(21)28)33-25(15)27(37)31-17-8-9-22(20(29)13-17)38-18-10-11-30-23(14-18)32-26(36)16-6-7-16/h2-5,8-14,16H,6-7H2,1H3,(H,31,37)(H,30,32,36)
InChIKeyOMDYUBVVUBSINQ-UHFFFAOYSA-N
XLogP4.61
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.49
LogP ≤ 54.61
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]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide (CID 162644086) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(=O)n(-c2ccccc2F)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]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is OMDYUBVVUBSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O4/c1-15-12-24(35)34(21-5-3-2-4-19(21)28)33-25(15)27(37)31-17-8-9-22(20(29)13-17)38-18-10-11-30-23(14-18)32-26(36)16-6-7-16/h2-5,8-14,16H,6-7H2,1H3,(H,31,37)(H,30,32,36).
What are the key properties of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 517.49 g/mol, XLogP of 4.61, 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]-1-(2-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 162644086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).