(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine

C24H26ClFN6S — CID 170019279

IUPAC(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine
SMILESCCCN[C@@H]1CN(c2cnc3nc(-c4cc(F)c5nn(C)cc5c4)cc(Cl)c3c2)CC1SC
InChIInChI=1S/C24H26ClFN6S/c1-4-5-27-21-12-32(13-22(21)33-3)16-8-17-18(25)9-20(29-24(17)28-10-16)14-6-15-11-31(2)30-23(15)19(26)7-14/h6-11,21-22,27H,4-5,12-13H2,1-3H3/t21-,22?/m1/s1
InChIKeyGLGKBOQUTFLKJB-ZMFCMNQTSA-N
MW485.03 g/mol
LogP4.90
Rot. Bonds6

About (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine

(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine (PubChem CID 170019279) has the molecular formula C24H26ClFN6S and a molecular weight of 485.03 g/mol. Its IUPAC name is (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine
PubChem CID170019279
Molecular FormulaC24H26ClFN6S
Molecular Weight485.03 g/mol
Exact Mass484.16
IUPAC Name(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine
SMILESCCCN[C@@H]1CN(c2cnc3nc(-c4cc(F)c5nn(C)cc5c4)cc(Cl)c3c2)CC1SC
InChIInChI=1S/C24H26ClFN6S/c1-4-5-27-21-12-32(13-22(21)33-3)16-8-17-18(25)9-20(29-24(17)28-10-16)14-6-15-11-31(2)30-23(15)19(26)7-14/h6-11,21-22,27H,4-5,12-13H2,1-3H3/t21-,22?/m1/s1
InChIKeyGLGKBOQUTFLKJB-ZMFCMNQTSA-N
XLogP4.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine (CID 170019279) is (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine is CCCN[C@@H]1CN(c2cnc3nc(-c4cc(F)c5nn(C)cc5c4)cc(Cl)c3c2)CC1SC.
What is the InChIKey of (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine?
The InChIKey is GLGKBOQUTFLKJB-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H26ClFN6S/c1-4-5-27-21-12-32(13-22(21)33-3)16-8-17-18(25)9-20(29-24(17)28-10-16)14-6-15-11-31(2)30-23(15)19(26)7-14/h6-11,21-22,27H,4-5,12-13H2,1-3H3/t21-,22?/m1/s1.
What are the key properties of (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine?
(3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine has a molecular weight of 485.03 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-4-methylsulfanyl-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 170019279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).