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

C21H26FN7O2 — CID 90155226

IUPAC4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide
SMILESCc1cn2nc(Nc3cc(NC4CC4)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)ccc2n1
InChIInChI=1S/C21H26FN7O2/c1-12-11-29-19(25-12)7-6-17(28-29)27-18-8-15(26-13-4-5-13)14(9-23-18)20(30)24-10-16(22)21(2,3)31/h6-9,11,13,16,31H,4-5,10H2,1-3H3,(H,24,30)(H2,23,26,27,28)/t16-/m1/s1
InChIKeyQQGQHVIVFMRBDT-MRXNPFEDSA-N
MW427.48 g/mol
LogP2.59
Rot. Bonds8

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

4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide (PubChem CID 90155226) has the molecular formula C21H26FN7O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide
PubChem CID90155226
Molecular FormulaC21H26FN7O2
Molecular Weight427.48 g/mol
Exact Mass427.21
IUPAC Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide
SMILESCc1cn2nc(Nc3cc(NC4CC4)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)ccc2n1
InChIInChI=1S/C21H26FN7O2/c1-12-11-29-19(25-12)7-6-17(28-29)27-18-8-15(26-13-4-5-13)14(9-23-18)20(30)24-10-16(22)21(2,3)31/h6-9,11,13,16,31H,4-5,10H2,1-3H3,(H,24,30)(H2,23,26,27,28)/t16-/m1/s1
InChIKeyQQGQHVIVFMRBDT-MRXNPFEDSA-N
XLogP2.59
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.59
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-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide (CID 90155226) is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide is Cc1cn2nc(Nc3cc(NC4CC4)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)ccc2n1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is QQGQHVIVFMRBDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN7O2/c1-12-11-29-19(25-12)7-6-17(28-29)27-18-8-15(26-13-4-5-13)14(9-23-18)20(30)24-10-16(22)21(2,3)31/h6-9,11,13,16,31H,4-5,10H2,1-3H3,(H,24,30)(H2,23,26,27,28)/t16-/m1/s1.
What are the key properties of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide?
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.59, 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-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90155226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).