6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H16BrN5 — CID 24915026

IUPAC6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESBrc1cnccc1CN1CCc2nc(-c3cccnc3)ncc2C1
InChIInChI=1S/C18H16BrN5/c19-16-10-21-6-3-14(16)11-24-7-4-17-15(12-24)9-22-18(23-17)13-2-1-5-20-8-13/h1-3,5-6,8-10H,4,7,11-12H2
InChIKeyAUSIEZCMDJVNFX-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.25
Rot. Bonds3

About 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915026) has the molecular formula C18H16BrN5 and a molecular weight of 382.27 g/mol. Its IUPAC name is 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915026
Molecular FormulaC18H16BrN5
Molecular Weight382.27 g/mol
Exact Mass381.06
IUPAC Name6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESBrc1cnccc1CN1CCc2nc(-c3cccnc3)ncc2C1
InChIInChI=1S/C18H16BrN5/c19-16-10-21-6-3-14(16)11-24-7-4-17-15(12-24)9-22-18(23-17)13-2-1-5-20-8-13/h1-3,5-6,8-10H,4,7,11-12H2
InChIKeyAUSIEZCMDJVNFX-UHFFFAOYSA-N
XLogP3.25
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915740
2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908960
2-pyridin-3-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917293
6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915152
2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913283
6-[(2-chloro-5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913073
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915736
6-[(3-fluoro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915766
6-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909314
6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912212
7-[(2-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930286
6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912905

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915026) is 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Brc1cnccc1CN1CCc2nc(-c3cccnc3)ncc2C1.
What is the InChIKey of 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AUSIEZCMDJVNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5/c19-16-10-21-6-3-14(16)11-24-7-4-17-15(12-24)9-22-18(23-17)13-2-1-5-20-8-13/h1-3,5-6,8-10H,4,7,11-12H2.
What are the key properties of 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 382.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).