2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine

C22H17F6N5OS — CID 59705075

IUPAC2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
SMILESCCCOc1nc(Nc2cc(C)nc3nc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C22H17F6N5OS/c1-3-8-34-20-13(21(23,24)25)5-7-16(33-20)31-15-9-11(2)30-19-12(15)4-6-14(32-19)17-18(22(26,27)28)35-10-29-17/h4-7,9-10H,3,8H2,1-2H3,(H,30,31,32,33)
InChIKeyDFVIPMYMQFTJNF-UHFFFAOYSA-N
MW513.47 g/mol
LogP7.03
Rot. Bonds6

About 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine

2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine (PubChem CID 59705075) has the molecular formula C22H17F6N5OS and a molecular weight of 513.47 g/mol. Its IUPAC name is 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
PubChem CID59705075
Molecular FormulaC22H17F6N5OS
Molecular Weight513.47 g/mol
Exact Mass513.11
IUPAC Name2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
SMILESCCCOc1nc(Nc2cc(C)nc3nc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F
InChIInChI=1S/C22H17F6N5OS/c1-3-8-34-20-13(21(23,24)25)5-7-16(33-20)31-15-9-11(2)30-19-12(15)4-6-14(32-19)17-18(22(26,27)28)35-10-29-17/h4-7,9-10H,3,8H2,1-2H3,(H,30,31,32,33)
InChIKeyDFVIPMYMQFTJNF-UHFFFAOYSA-N
XLogP7.03
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine (CID 59705075) is 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine is CCCOc1nc(Nc2cc(C)nc3nc(-c4ncsc4C(F)(F)F)ccc23)ccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
The InChIKey is DFVIPMYMQFTJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N5OS/c1-3-8-34-20-13(21(23,24)25)5-7-16(33-20)31-15-9-11(2)30-19-12(15)4-6-14(32-19)17-18(22(26,27)28)35-10-29-17/h4-7,9-10H,3,8H2,1-2H3,(H,30,31,32,33).
What are the key properties of 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine?
2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine has a molecular weight of 513.47 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-propoxy-5-(trifluoromethyl)-2-pyridinyl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 59705075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).