N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide

About N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide

N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide (PubChem CID 141481024) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide.

Molecular Properties

Compound Name	N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide
PubChem CID	141481024
Molecular Formula	C25H25F3N6O
Molecular Weight	482.51 g/mol
Exact Mass	482.20
IUPAC Name	N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide
SMILES	O=CN(c1ccc(F)c(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1)[C@@H]1CCNC1
InChI	InChI=1S/C25H25F3N6O/c26-16-11-25(12-16,24-21(28)2-1-8-30-24)14-31-23-6-5-22(32-33-23)19-10-17(3-4-20(19)27)34(15-35)18-7-9-29-13-18/h1-6,8,10,15-16,18,29H,7,9,11-14H2,(H,31,33)/t16?,18-,25?/m1/s1
InChIKey	VPAXAXRMXNVHKC-AUDXORNHSA-N
XLogP	3.62
TPSA	83.04 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.51
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide?

The IUPAC name of N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide (CID 141481024) is N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide.

What is the SMILES notation for N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide?

The canonical SMILES for N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide is O=CN(c1ccc(F)c(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1)[C@@H]1CCNC1.

What is the InChIKey of N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide?

The InChIKey is VPAXAXRMXNVHKC-AUDXORNHSA-N. The full InChI is InChI=1S/C25H25F3N6O/c26-16-11-25(12-16,24-21(28)2-1-8-30-24)14-31-23-6-5-22(32-33-23)19-10-17(3-4-20(19)27)34(15-35)18-7-9-29-13-18/h1-6,8,10,15-16,18,29H,7,9,11-14H2,(H,31,33)/t16?,18-,25?/m1/s1.

What are the key properties of N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide?

N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide has a molecular weight of 482.51 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide is sourced from PubChem (CID 141481024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).