8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane

C19H19N5OS — CID 57292747

IUPAC8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESc1ncc2ccc(-c3ccc(N4CCC5(CC4)OCCS5)nc3)nc2n1
InChIInChI=1S/C19H19N5OS/c1-3-16(23-18-15(1)11-20-13-22-18)14-2-4-17(21-12-14)24-7-5-19(6-8-24)25-9-10-26-19/h1-4,11-13H,5-10H2
InChIKeyXCZGSXHKJBCSPC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.15
Rot. Bonds2

About 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane

8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane (PubChem CID 57292747) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
PubChem CID57292747
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
SMILESc1ncc2ccc(-c3ccc(N4CCC5(CC4)OCCS5)nc3)nc2n1
InChIInChI=1S/C19H19N5OS/c1-3-16(23-18-15(1)11-20-13-22-18)14-2-4-17(21-12-14)24-7-5-19(6-8-24)25-9-10-26-19/h1-4,11-13H,5-10H2
InChIKeyXCZGSXHKJBCSPC-UHFFFAOYSA-N
XLogP3.15
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 139898617
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576
4-[5-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-2-pyridinyl]morpholine
CID 46981766
5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 101088508
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 141132498
N-(6-morpholin-4-yl-3-pyridinyl)-6-quinazolin-6-ylimidazo[1,2-a]pyrazin-8-amine
CID 141271386
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
7-(6-morpholin-4-yl-3-pyridinyl)-5-(4-propylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 11102108

Frequently Asked Questions

What is the IUPAC name of 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane (CID 57292747) is 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane is c1ncc2ccc(-c3ccc(N4CCC5(CC4)OCCS5)nc3)nc2n1.
What is the InChIKey of 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
The InChIKey is XCZGSXHKJBCSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-3-16(23-18-15(1)11-20-13-22-18)14-2-4-17(21-12-14)24-7-5-19(6-8-24)25-9-10-26-19/h1-4,11-13H,5-10H2.
What are the key properties of 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane?
8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane has a molecular weight of 365.46 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-pyrido[2,3-d]pyrimidin-7-yl-2-pyridinyl)-1-oxa-4-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 57292747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).