7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone

C15H13N7O — CID 90621035

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCc2ncncc2C1
InChIInChI=1S/C15H13N7O/c23-15(21-5-4-14-12(8-21)7-16-9-17-14)11-2-1-3-13(6-11)22-10-18-19-20-22/h1-3,6-7,9-10H,4-5,8H2
InChIKeySFJUTWZQSGDOCP-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.65
Rot. Bonds2

About 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 90621035) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID90621035
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCc2ncncc2C1
InChIInChI=1S/C15H13N7O/c23-15(21-5-4-14-12(8-21)7-16-9-17-14)11-2-1-3-13(6-11)22-10-18-19-20-22/h1-3,6-7,9-10H,4-5,8H2
InChIKeySFJUTWZQSGDOCP-UHFFFAOYSA-N
XLogP0.65
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 72719384
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
N-[5-[3-(tetrazol-1-yl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525440
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 72719472
[2-chloro-5-(tetrazol-1-yl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42534769
1-propan-2-yl-3-[5-[3-(tetrazol-1-yl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529727
N-[5-[3-(tetrazol-1-yl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526830
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone (CID 90621035) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is SFJUTWZQSGDOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c23-15(21-5-4-14-12(8-21)7-16-9-17-14)11-2-1-3-13(6-11)22-10-18-19-20-22/h1-3,6-7,9-10H,4-5,8H2.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 307.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 90621035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).