6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine

C24H22FN7 — CID 129033128

IUPAC6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(N4CCc5ncccc5C4)c3F)cn2)ccn1
InChIInChI=1S/C24H22FN7/c1-16-11-18(6-9-26-16)20-5-4-17(12-28-20)13-29-23-22(25)24(31-15-30-23)32-10-7-21-19(14-32)3-2-8-27-21/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,29,30,31)
InChIKeyQWBPNFSFWCATIH-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.95
Rot. Bonds5

About 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine

6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 129033128) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID129033128
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(N4CCc5ncccc5C4)c3F)cn2)ccn1
InChIInChI=1S/C24H22FN7/c1-16-11-18(6-9-26-16)20-5-4-17(12-28-20)13-29-23-22(25)24(31-15-30-23)32-10-7-21-19(14-32)3-2-8-27-21/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,29,30,31)
InChIKeyQWBPNFSFWCATIH-UHFFFAOYSA-N
XLogP3.95
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine (CID 129033128) is 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine is Cc1cc(-c2ccc(CNc3ncnc(N4CCc5ncccc5C4)c3F)cn2)ccn1.
What is the InChIKey of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is QWBPNFSFWCATIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-16-11-18(6-9-26-16)20-5-4-17(12-28-20)13-29-23-22(25)24(31-15-30-23)32-10-7-21-19(14-32)3-2-8-27-21/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,29,30,31).
What are the key properties of 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine?
6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 427.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129033128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).