6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide

C27H29FN8O3 — CID 67268203

IUPAC6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(=O)NCCN3CCNC3=O)nn2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H29FN8O3/c28-20-3-1-2-18(16-20)22-5-4-19(17-31-22)25(37)32-21-8-12-35(13-9-21)24-7-6-23(33-34-24)26(38)29-10-14-36-15-11-30-27(36)39/h1-7,16-17,21H,8-15H2,(H,29,38)(H,30,39)(H,32,37)
InChIKeyZZWSFDNEAVNVTL-UHFFFAOYSA-N
MW532.58 g/mol
LogP1.83
Rot. Bonds8

About 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide

6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 67268203) has the molecular formula C27H29FN8O3 and a molecular weight of 532.58 g/mol. Its IUPAC name is 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID67268203
Molecular FormulaC27H29FN8O3
Molecular Weight532.58 g/mol
Exact Mass532.23
IUPAC Name6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(=O)NCCN3CCNC3=O)nn2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H29FN8O3/c28-20-3-1-2-18(16-20)22-5-4-19(17-31-22)25(37)32-21-8-12-35(13-9-21)24-7-6-23(33-34-24)26(38)29-10-14-36-15-11-30-27(36)39/h1-7,16-17,21H,8-15H2,(H,29,38)(H,30,39)(H,32,37)
InChIKeyZZWSFDNEAVNVTL-UHFFFAOYSA-N
XLogP1.83
TPSA132.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.58
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide (CID 67268203) is 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide is O=C(NC1CCN(c2ccc(C(=O)NCCN3CCNC3=O)nn2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is ZZWSFDNEAVNVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8O3/c28-20-3-1-2-18(16-20)22-5-4-19(17-31-22)25(37)32-21-8-12-35(13-9-21)24-7-6-23(33-34-24)26(38)29-10-14-36-15-11-30-27(36)39/h1-7,16-17,21H,8-15H2,(H,29,38)(H,30,39)(H,32,37).
What are the key properties of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide?
6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 532.58 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 67268203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).