3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine

C33H31FN8O3 — CID 66789205

IUPAC3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3c(Nc4ccc(OC)nc4)nc4ccc(F)cn34)n2)cc1
InChIInChI=1S/C33H31FN8O3/c1-21-36-31(30-32(38-25-10-16-29(45-4)35-17-25)39-28-15-9-24(34)20-42(28)30)40-33(37-21)41(18-22-5-11-26(43-2)12-6-22)19-23-7-13-27(44-3)14-8-23/h5-17,20,38H,18-19H2,1-4H3
InChIKeyVPLIYCPGSYDCDM-UHFFFAOYSA-N
MW606.66 g/mol
LogP6.01
Rot. Bonds11

About 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine

3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 66789205) has the molecular formula C33H31FN8O3 and a molecular weight of 606.66 g/mol. Its IUPAC name is 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID66789205
Molecular FormulaC33H31FN8O3
Molecular Weight606.66 g/mol
Exact Mass606.25
IUPAC Name3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3c(Nc4ccc(OC)nc4)nc4ccc(F)cn34)n2)cc1
InChIInChI=1S/C33H31FN8O3/c1-21-36-31(30-32(38-25-10-16-29(45-4)35-17-25)39-28-15-9-24(34)20-42(28)30)40-33(37-21)41(18-22-5-11-26(43-2)12-6-22)19-23-7-13-27(44-3)14-8-23/h5-17,20,38H,18-19H2,1-4H3
InChIKeyVPLIYCPGSYDCDM-UHFFFAOYSA-N
XLogP6.01
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.66
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine (CID 66789205) is 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3c(Nc4ccc(OC)nc4)nc4ccc(F)cn34)n2)cc1.
What is the InChIKey of 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is VPLIYCPGSYDCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN8O3/c1-21-36-31(30-32(38-25-10-16-29(45-4)35-17-25)39-28-15-9-24(34)20-42(28)30)40-33(37-21)41(18-22-5-11-26(43-2)12-6-22)19-23-7-13-27(44-3)14-8-23/h5-17,20,38H,18-19H2,1-4H3.
What are the key properties of 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine?
3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 606.66 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 66789205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).