(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin

C23H24N6SSn — CID 144665863

IUPAC(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin
SMILESCC(C)c1cncc(Nc2cnc3ccc([Sn]c4nnc(C5CCCC5)s4)nc3c2)c1
InChIInChI=1S/C16H15N4.C7H9N2S.Sn/c1-11(2)12-6-13(9-17-8-12)20-14-7-16-15(19-10-14)4-3-5-18-16;1-2-4-6(3-1)7-9-8-5-10-7;/h3-4,6-11,20H,1-2H3;6H,1-4H2;
InChIKeyHEWJBSJZDDCRHH-UHFFFAOYSA-N
MW535.27 g/mol
LogP4.06
Rot. Bonds6

About (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin

(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin (PubChem CID 144665863) has the molecular formula C23H24N6SSn and a molecular weight of 535.27 g/mol. Its IUPAC name is (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin.

Molecular Properties

Compound Name(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin
PubChem CID144665863
Molecular FormulaC23H24N6SSn
Molecular Weight535.27 g/mol
Exact Mass536.08
IUPAC Name(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin
SMILESCC(C)c1cncc(Nc2cnc3ccc([Sn]c4nnc(C5CCCC5)s4)nc3c2)c1
InChIInChI=1S/C16H15N4.C7H9N2S.Sn/c1-11(2)12-6-13(9-17-8-12)20-14-7-16-15(19-10-14)4-3-5-18-16;1-2-4-6(3-1)7-9-8-5-10-7;/h3-4,6-11,20H,1-2H3;6H,1-4H2;
InChIKeyHEWJBSJZDDCRHH-UHFFFAOYSA-N
XLogP4.06
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin?
The IUPAC name of (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin (CID 144665863) is (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin.
What is the SMILES notation for (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin?
The canonical SMILES for (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin is CC(C)c1cncc(Nc2cnc3ccc([Sn]c4nnc(C5CCCC5)s4)nc3c2)c1.
What is the InChIKey of (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin?
The InChIKey is HEWJBSJZDDCRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N4.C7H9N2S.Sn/c1-11(2)12-6-13(9-17-8-12)20-14-7-16-15(19-10-14)4-3-5-18-16;1-2-4-6(3-1)7-9-8-5-10-7;/h3-4,6-11,20H,1-2H3;6H,1-4H2;.
What are the key properties of (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin?
(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin has a molecular weight of 535.27 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopentyl-1,3,4-thiadiazol-2-yl)-[7-[(5-propan-2-yl-3-pyridinyl)amino]-1,5-naphthyridin-2-yl]tin is sourced from PubChem (CID 144665863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).