4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine

C13H11BrN6 — CID 126945134

IUPAC4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESBrc1cnn(C2CN(c3ncnc4cnccc34)C2)c1
InChIInChI=1S/C13H11BrN6/c14-9-3-18-20(5-9)10-6-19(7-10)13-11-1-2-15-4-12(11)16-8-17-13/h1-5,8,10H,6-7H2
InChIKeyDOCJNKDTDPDTAY-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.05
Rot. Bonds2

About 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine

4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 126945134) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID126945134
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC Name4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESBrc1cnn(C2CN(c3ncnc4cnccc34)C2)c1
InChIInChI=1S/C13H11BrN6/c14-9-3-18-20(5-9)10-6-19(7-10)13-11-1-2-15-4-12(11)16-8-17-13/h1-5,8,10H,6-7H2
InChIKeyDOCJNKDTDPDTAY-UHFFFAOYSA-N
XLogP2.05
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-pyrido[3,4-d]pyrimidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166602383
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 146074600
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 126946921
5-bromo-N-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-2-amine
CID 171328908
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931937
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
4-[5-[(5-bromo-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrido[3,4-d]pyrimidine
CID 172903991
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
CID 171326741

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine (CID 126945134) is 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine is Brc1cnn(C2CN(c3ncnc4cnccc34)C2)c1.
What is the InChIKey of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is DOCJNKDTDPDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c14-9-3-18-20(5-9)10-6-19(7-10)13-11-1-2-15-4-12(11)16-8-17-13/h1-5,8,10H,6-7H2.
What are the key properties of 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine?
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 331.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 126945134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).