8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine

C17H15ClN8O — CID 178009446

IUPAC8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@H](Oc1cnc(-c2cccc(Cl)c2)c2ncnc(N)c12)c1nnn(C)n1
InChIInChI=1S/C17H15ClN8O/c1-9(17-23-25-26(2)24-17)27-12-7-20-14(10-4-3-5-11(18)6-10)15-13(12)16(19)22-8-21-15/h3-9H,1-2H3,(H2,19,21,22)/t9-/m0/s1
InChIKeyNQVIUPODFCHOKA-VIFPVBQESA-N
MW382.82 g/mol
LogP2.59
Rot. Bonds4

About 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine

8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 178009446) has the molecular formula C17H15ClN8O and a molecular weight of 382.82 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID178009446
Molecular FormulaC17H15ClN8O
Molecular Weight382.82 g/mol
Exact Mass382.11
IUPAC Name8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@H](Oc1cnc(-c2cccc(Cl)c2)c2ncnc(N)c12)c1nnn(C)n1
InChIInChI=1S/C17H15ClN8O/c1-9(17-23-25-26(2)24-17)27-12-7-20-14(10-4-3-5-11(18)6-10)15-13(12)16(19)22-8-21-15/h3-9H,1-2H3,(H2,19,21,22)/t9-/m0/s1
InChIKeyNQVIUPODFCHOKA-VIFPVBQESA-N
XLogP2.59
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

8-(3-chlorophenyl)-5-[(1,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyrido[3,4-d]pyrimidin-4-amine
CID 178009294
6-[(1S)-1-[4-amino-8-(5-chloro-3-pyridinyl)quinazolin-5-yl]oxyethyl]-2-methylpyridazin-3-one
CID 178009553
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
5-(3-chlorophenyl)-8-fluoroquinazolin-4-amine;prop-1-ene
CID 142278551
5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
2-(3-chlorophenyl)-5-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]oxy]ethyl]tetrazole
CID 143797429
4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488510
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
8-bromo-5-[1-(1,3-dimethylpyrazolo[4,3-d]pyrimidin-5-yl)ethoxy]-7-fluoroquinazolin-4-amine
CID 178009365
8-bromo-5-[(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethoxy]-7-methoxyquinazolin-4-amine
CID 178009256
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-ol
CID 69299704

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine (CID 178009446) is 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine is C[C@H](Oc1cnc(-c2cccc(Cl)c2)c2ncnc(N)c12)c1nnn(C)n1.
What is the InChIKey of 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is NQVIUPODFCHOKA-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15ClN8O/c1-9(17-23-25-26(2)24-17)27-12-7-20-14(10-4-3-5-11(18)6-10)15-13(12)16(19)22-8-21-15/h3-9H,1-2H3,(H2,19,21,22)/t9-/m0/s1.
What are the key properties of 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine?
8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 382.82 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-5-[(1S)-1-(2-methyltetrazol-5-yl)ethoxy]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 178009446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).