2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine

C27H31N7OS — CID 90287838

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine
SMILESc1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)ccc1CCN1CCOCC1
InChIInChI=1S/C27H31N7OS/c1-2-4-20(3-1)26-32-33-27(36-26)31-25-10-9-23-24(30-25)17-22(18-28-23)29-21-7-5-19(6-8-21)11-12-34-13-15-35-16-14-34/h5-10,17-18,20,29H,1-4,11-16H2,(H,30,31,33)
InChIKeyAXLZHTLXTJYOLR-UHFFFAOYSA-N
MW501.66 g/mol
LogP5.50
Rot. Bonds8

About 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine (PubChem CID 90287838) has the molecular formula C27H31N7OS and a molecular weight of 501.66 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine
PubChem CID90287838
Molecular FormulaC27H31N7OS
Molecular Weight501.66 g/mol
Exact Mass501.23
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine
SMILESc1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)ccc1CCN1CCOCC1
InChIInChI=1S/C27H31N7OS/c1-2-4-20(3-1)26-32-33-27(36-26)31-25-10-9-23-24(30-25)17-22(18-28-23)29-21-7-5-19(6-8-21)11-12-34-13-15-35-16-14-34/h5-10,17-18,20,29H,1-4,11-16H2,(H,30,31,33)
InChIKeyAXLZHTLXTJYOLR-UHFFFAOYSA-N
XLogP5.50
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.66
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine (CID 90287838) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine is c1cc(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)ccc1CCN1CCOCC1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine?
The InChIKey is AXLZHTLXTJYOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7OS/c1-2-4-20(3-1)26-32-33-27(36-26)31-25-10-9-23-24(30-25)17-22(18-28-23)29-21-7-5-19(6-8-21)11-12-34-13-15-35-16-14-34/h5-10,17-18,20,29H,1-4,11-16H2,(H,30,31,33).
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine has a molecular weight of 501.66 g/mol, XLogP of 5.50, 8 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-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 90287838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).