N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine

C25H21F2N7O2 — CID 71558884

IUPACN-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(Cc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C25H21F2N7O2/c1-33-13-16(12-31-33)15-9-18-17(30-11-15)5-6-22(32-18)34(14-21-28-7-4-8-29-21)25-23(26)19(35-2)10-20(36-3)24(25)27/h4-13H,14H2,1-3H3
InChIKeyFPQZQEVKWJHGCS-UHFFFAOYSA-N
MW489.49 g/mol
LogP4.45
Rot. Bonds7

About N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine

N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine (PubChem CID 71558884) has the molecular formula C25H21F2N7O2 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine
PubChem CID71558884
Molecular FormulaC25H21F2N7O2
Molecular Weight489.49 g/mol
Exact Mass489.17
IUPAC NameN-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(Cc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F
InChIInChI=1S/C25H21F2N7O2/c1-33-13-16(12-31-33)15-9-18-17(30-11-15)5-6-22(32-18)34(14-21-28-7-4-8-29-21)25-23(26)19(35-2)10-20(36-3)24(25)27/h4-13H,14H2,1-3H3
InChIKeyFPQZQEVKWJHGCS-UHFFFAOYSA-N
XLogP4.45
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine?
The IUPAC name of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine (CID 71558884) is N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine is COc1cc(OC)c(F)c(N(Cc2ncccn2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1F.
What is the InChIKey of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine?
The InChIKey is FPQZQEVKWJHGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O2/c1-33-13-16(12-31-33)15-9-18-17(30-11-15)5-6-22(32-18)34(14-21-28-7-4-8-29-21)25-23(26)19(35-2)10-20(36-3)24(25)27/h4-13H,14H2,1-3H3.
What are the key properties of N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine?
N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine has a molecular weight of 489.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 71558884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).