4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

C23H23F2N7 — CID 154601382

IUPAC4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncc(F)c(-c3cnc4ccc(Nc5cccc(F)c5)cn34)n2)CC1
InChIInChI=1S/C23H23F2N7/c24-14-2-1-3-17(10-14)29-18-8-9-21-27-12-20(32(21)13-18)22-19(25)11-28-23(31-22)30-16-6-4-15(26)5-7-16/h1-3,8-13,15-16,29H,4-7,26H2,(H,28,30,31)
InChIKeyNSVASLKIDLIDMQ-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.49
Rot. Bonds5

About 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 154601382) has the molecular formula C23H23F2N7 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID154601382
Molecular FormulaC23H23F2N7
Molecular Weight435.48 g/mol
Exact Mass435.20
IUPAC Name4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncc(F)c(-c3cnc4ccc(Nc5cccc(F)c5)cn34)n2)CC1
InChIInChI=1S/C23H23F2N7/c24-14-2-1-3-17(10-14)29-18-8-9-21-27-12-20(32(21)13-18)22-19(25)11-28-23(31-22)30-16-6-4-15(26)5-7-16/h1-3,8-13,15-16,29H,4-7,26H2,(H,28,30,31)
InChIKeyNSVASLKIDLIDMQ-UHFFFAOYSA-N
XLogP4.49
TPSA93.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-[5-fluoro-4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601425
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 154995788
4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 135301300
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-pyridin-2-ylcyclohexane-1,4-diamine
CID 142408363
4-N-[5-fluoro-4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 142408387
4-N-[5-fluoro-4-(3-phenylphenyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 172590735
3-[2-[[4-(azetidin-1-yl)cyclohexyl]amino]-5-methylpyrimidin-4-yl]-N-pyrimidin-5-ylimidazo[1,2-a]pyridin-6-amine
CID 154601372
4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601410
4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601412
4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 154601404
N-cyclopropyl-5-[[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 156725860
4-N-[3-[2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 53357316

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 154601382) is 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2ncc(F)c(-c3cnc4ccc(Nc5cccc(F)c5)cn34)n2)CC1.
What is the InChIKey of 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is NSVASLKIDLIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7/c24-14-2-1-3-17(10-14)29-18-8-9-21-27-12-20(32(21)13-18)22-19(25)11-28-23(31-22)30-16-6-4-15(26)5-7-16/h1-3,8-13,15-16,29H,4-7,26H2,(H,28,30,31).
What are the key properties of 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 435.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 154601382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).