N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine

C20H20ClN5O2 — CID 73386785

IUPACN-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(Cl)ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1
InChIInChI=1S/C20H20ClN5O2/c1-27-16-8-14(21)2-3-15(16)24-19-23-9-13-4-6-22-18(17(13)25-19)26-7-5-20(10-26)11-28-12-20/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,23,24,25)
InChIKeyHPGFQIHYUVMAAB-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.66
Rot. Bonds4

About N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine

N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 73386785) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID73386785
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCOc1cc(Cl)ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1
InChIInChI=1S/C20H20ClN5O2/c1-27-16-8-14(21)2-3-15(16)24-19-23-9-13-4-6-22-18(17(13)25-19)26-7-5-20(10-26)11-28-12-20/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,23,24,25)
InChIKeyHPGFQIHYUVMAAB-UHFFFAOYSA-N
XLogP3.66
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 73386785) is N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine is COc1cc(Cl)ccc1Nc1ncc2ccnc(N3CCC4(COC4)C3)c2n1.
What is the InChIKey of N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is HPGFQIHYUVMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-27-16-8-14(21)2-3-15(16)24-19-23-9-13-4-6-22-18(17(13)25-19)26-7-5-20(10-26)11-28-12-20/h2-4,6,8-9H,5,7,10-12H2,1H3,(H,23,24,25).
What are the key properties of N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine?
N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 397.87 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxyphenyl)-8-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 73386785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).