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

C31H42N8OSSi — CID 90287836

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
SMILESC[Si](C)(C)CCOCN(c1ccc2ncc(Nc3cncc(N4CCCCC4)c3)cc2n1)c1nnc(C2CCCC2)s1
InChIInChI=1S/C31H42N8OSSi/c1-42(2,3)16-15-40-22-39(31-37-36-30(41-31)23-9-5-6-10-23)29-12-11-27-28(35-29)18-25(20-33-27)34-24-17-26(21-32-19-24)38-13-7-4-8-14-38/h11-12,17-21,23,34H,4-10,13-16,22H2,1-3H3
InChIKeyAVVPAXAKQVMRID-UHFFFAOYSA-N
MW602.89 g/mol
LogP7.72
Rot. Bonds11

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

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine (PubChem CID 90287836) has the molecular formula C31H42N8OSSi and a molecular weight of 602.89 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
PubChem CID90287836
Molecular FormulaC31H42N8OSSi
Molecular Weight602.89 g/mol
Exact Mass602.30
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
SMILESC[Si](C)(C)CCOCN(c1ccc2ncc(Nc3cncc(N4CCCCC4)c3)cc2n1)c1nnc(C2CCCC2)s1
InChIInChI=1S/C31H42N8OSSi/c1-42(2,3)16-15-40-22-39(31-37-36-30(41-31)23-9-5-6-10-23)29-12-11-27-28(35-29)18-25(20-33-27)34-24-17-26(21-32-19-24)38-13-7-4-8-14-38/h11-12,17-21,23,34H,4-10,13-16,22H2,1-3H3
InChIKeyAVVPAXAKQVMRID-UHFFFAOYSA-N
XLogP7.72
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.89
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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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-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine (CID 90287836) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-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-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine is C[Si](C)(C)CCOCN(c1ccc2ncc(Nc3cncc(N4CCCCC4)c3)cc2n1)c1nnc(C2CCCC2)s1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is AVVPAXAKQVMRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8OSSi/c1-42(2,3)16-15-40-22-39(31-37-36-30(41-31)23-9-5-6-10-23)29-12-11-27-28(35-29)18-25(20-33-27)34-24-17-26(21-32-19-24)38-13-7-4-8-14-38/h11-12,17-21,23,34H,4-10,13-16,22H2,1-3H3.
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 602.89 g/mol, XLogP of 7.72, 11 rotatable bonds, 1 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-piperidin-1-yl-3-pyridinyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 90287836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).