4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide

C20H24FN7O2 — CID 90155012

IUPAC4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
InChIInChI=1S/C20H24FN7O2/c1-20(2,30)15(21)11-24-19(29)13-10-23-17(9-14(13)25-12-3-4-12)26-16-5-6-18-22-7-8-28(18)27-16/h5-10,12,15,30H,3-4,11H2,1-2H3,(H,24,29)(H2,23,25,26,27)/t15-/m1/s1
InChIKeyBZEFOFJGRMEOKJ-OAHLLOKOSA-N
MW413.46 g/mol
LogP2.28
Rot. Bonds8

About 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide

4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide (PubChem CID 90155012) has the molecular formula C20H24FN7O2 and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
PubChem CID90155012
Molecular FormulaC20H24FN7O2
Molecular Weight413.46 g/mol
Exact Mass413.20
IUPAC Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
InChIInChI=1S/C20H24FN7O2/c1-20(2,30)15(21)11-24-19(29)13-10-23-17(9-14(13)25-12-3-4-12)26-16-5-6-18-22-7-8-28(18)27-16/h5-10,12,15,30H,3-4,11H2,1-2H3,(H,24,29)(H2,23,25,26,27)/t15-/m1/s1
InChIKeyBZEFOFJGRMEOKJ-OAHLLOKOSA-N
XLogP2.28
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide (CID 90155012) is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is BZEFOFJGRMEOKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN7O2/c1-20(2,30)15(21)11-24-19(29)13-10-23-17(9-14(13)25-12-3-4-12)26-16-5-6-18-22-7-8-28(18)27-16/h5-10,12,15,30H,3-4,11H2,1-2H3,(H,24,29)(H2,23,25,26,27)/t15-/m1/s1.
What are the key properties of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide?
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(imidazo[1,2-b]pyridazin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).