4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile

C34H29FN10 — CID 177316258

IUPAC4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NC2CCN(Cc3ccc(-c4c(-c5cccnc5N)nc5ccc(-c6ccc(F)cc6)nn45)cc3)CC2)n1
InChIInChI=1S/C34H29FN10/c35-25-9-7-23(8-10-25)28-11-12-31-42-32(27-2-1-16-39-34(27)37)33(45(31)43-28)24-5-3-22(4-6-24)21-44-18-14-26(15-19-44)40-29-13-17-38-30(20-36)41-29/h1-13,16-17,26H,14-15,18-19,21H2,(H2,37,39)(H,38,40,41)
InChIKeyOSVICWYBOWYDEC-UHFFFAOYSA-N
MW596.67 g/mol
LogP5.58
Rot. Bonds7

About 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile

4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile (PubChem CID 177316258) has the molecular formula C34H29FN10 and a molecular weight of 596.67 g/mol. Its IUPAC name is 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
PubChem CID177316258
Molecular FormulaC34H29FN10
Molecular Weight596.67 g/mol
Exact Mass596.26
IUPAC Name4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NC2CCN(Cc3ccc(-c4c(-c5cccnc5N)nc5ccc(-c6ccc(F)cc6)nn45)cc3)CC2)n1
InChIInChI=1S/C34H29FN10/c35-25-9-7-23(8-10-25)28-11-12-31-42-32(27-2-1-16-39-34(27)37)33(45(31)43-28)24-5-3-22(4-6-24)21-44-18-14-26(15-19-44)40-29-13-17-38-30(20-36)41-29/h1-13,16-17,26H,14-15,18-19,21H2,(H2,37,39)(H,38,40,41)
InChIKeyOSVICWYBOWYDEC-UHFFFAOYSA-N
XLogP5.58
TPSA133.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.67
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile;ethane
CID 177317006
4-[[1-[[4-(13-oxo-4-phenyl-2,3,6,12-tetrazatricyclo[7.4.0.03,7]trideca-1,4,6,8-tetraen-5-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349540
2-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-N-ethyl-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide
CID 177349943
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile;ethane
CID 171495693
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(6-methyl-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494871
4-[[1-[[4-(3-phenylpyrido[2,3-b]pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177349704
4-[[1-[[4-[5-(3-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171495389
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-[2-(cyanomethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494217
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494026
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171496462
3-[3-[4-(chloromethyl)phenyl]-6-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]pyridin-2-amine
CID 177316285
4-[[1-[[4-(8-fluoro-3-phenyl-5H-imidazo[1,2-c][1,3]benzoxazin-2-yl)phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177136720

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile (CID 177316258) is 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile is N#Cc1nccc(NC2CCN(Cc3ccc(-c4c(-c5cccnc5N)nc5ccc(-c6ccc(F)cc6)nn45)cc3)CC2)n1.
What is the InChIKey of 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
The InChIKey is OSVICWYBOWYDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN10/c35-25-9-7-23(8-10-25)28-11-12-31-42-32(27-2-1-16-39-34(27)37)33(45(31)43-28)24-5-3-22(4-6-24)21-44-18-14-26(15-19-44)40-29-13-17-38-30(20-36)41-29/h1-13,16-17,26H,14-15,18-19,21H2,(H2,37,39)(H,38,40,41).
What are the key properties of 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile has a molecular weight of 596.67 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 177316258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).