2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine

C19H20N8S — CID 118503944

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine
SMILESCn1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)cn1
InChIInChI=1S/C19H20N8S/c1-27-11-14(10-21-27)22-13-8-16-15(20-9-13)6-7-17(23-16)24-19-26-25-18(28-19)12-4-2-3-5-12/h6-12,22H,2-5H2,1H3,(H,23,24,26)
InChIKeyZTJGLZXQHNSIKA-UHFFFAOYSA-N
MW392.49 g/mol
LogP4.36
Rot. Bonds5

About 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 118503944) has the molecular formula C19H20N8S and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine
PubChem CID118503944
Molecular FormulaC19H20N8S
Molecular Weight392.49 g/mol
Exact Mass392.15
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine
SMILESCn1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)cn1
InChIInChI=1S/C19H20N8S/c1-27-11-14(10-21-27)22-13-8-16-15(20-9-13)6-7-17(23-16)24-19-26-25-18(28-19)12-4-2-3-5-12/h6-12,22H,2-5H2,1H3,(H,23,24,26)
InChIKeyZTJGLZXQHNSIKA-UHFFFAOYSA-N
XLogP4.36
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine
CID 118503889
6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-ol
CID 136929515
1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
CID 90288026
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
CID 118503901
1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118503874
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288273
5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288369
5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288286
5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
CID 158697925
N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 90288215
5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 118507180
5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 118497370

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine (CID 118503944) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine is Cn1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)cn1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is ZTJGLZXQHNSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8S/c1-27-11-14(10-21-27)22-13-8-16-15(20-9-13)6-7-17(23-16)24-19-26-25-18(28-19)12-4-2-3-5-12/h6-12,22H,2-5H2,1H3,(H,23,24,26).
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 392.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118503944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).