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

C24H26N8OS — CID 90287831

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
SMILESc1ncc(N2CCOCC2)cc1Nc1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C24H26N8OS/c1-2-4-16(3-1)23-30-31-24(34-23)29-22-6-5-20-21(28-22)12-18(14-26-20)27-17-11-19(15-25-13-17)32-7-9-33-10-8-32/h5-6,11-16,27H,1-4,7-10H2,(H,28,29,31)
InChIKeyBFPOETDFSANFQX-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.86
Rot. Bonds6

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

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine (PubChem CID 90287831) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
PubChem CID90287831
Molecular FormulaC24H26N8OS
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
SMILESc1ncc(N2CCOCC2)cc1Nc1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C24H26N8OS/c1-2-4-16(3-1)23-30-31-24(34-23)29-22-6-5-20-21(28-22)12-18(14-26-20)27-17-11-19(15-25-13-17)32-7-9-33-10-8-32/h5-6,11-16,27H,1-4,7-10H2,(H,28,29,31)
InChIKeyBFPOETDFSANFQX-UHFFFAOYSA-N
XLogP4.86
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine (CID 90287831) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine is c1ncc(N2CCOCC2)cc1Nc1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is BFPOETDFSANFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c1-2-4-16(3-1)23-30-31-24(34-23)29-22-6-5-20-21(28-22)12-18(14-26-20)27-17-11-19(15-25-13-17)32-7-9-33-10-8-32/h5-6,11-16,27H,1-4,7-10H2,(H,28,29,31).
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 474.59 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 90287831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).