N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine

C19H20BrN9 — CID 140893595

IUPACN-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine
SMILESCCc1[nH]c2nc(Nc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Br
InChIInChI=1S/C19H20BrN9/c1-2-12-15(20)14-17(26-12)27-19(28-18(14)29-8-10(6-21)9-29)25-11-5-13-16(24-7-11)23-4-3-22-13/h3-5,7,10H,2,6,8-9,21H2,1H3,(H2,25,26,27,28)
InChIKeyJRBAXDOOXRTNOX-UHFFFAOYSA-N
MW454.34 g/mol
LogP2.76
Rot. Bonds5

About N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine

N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine (PubChem CID 140893595) has the molecular formula C19H20BrN9 and a molecular weight of 454.34 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine
PubChem CID140893595
Molecular FormulaC19H20BrN9
Molecular Weight454.34 g/mol
Exact Mass453.10
IUPAC NameN-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine
SMILESCCc1[nH]c2nc(Nc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Br
InChIInChI=1S/C19H20BrN9/c1-2-12-15(20)14-17(26-12)27-19(28-18(14)29-8-10(6-21)9-29)25-11-5-13-16(24-7-11)23-4-3-22-13/h3-5,7,10H,2,6,8-9,21H2,1H3,(H2,25,26,27,28)
InChIKeyJRBAXDOOXRTNOX-UHFFFAOYSA-N
XLogP2.76
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.34
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine with MolForge

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Related Compounds

N-[1-(5-bromo-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanesulfonamide
CID 89460571
4-(4-aminopiperidin-1-yl)-6-fluoro-8-N-methyl-2-N-pyrido[2,3-b]pyrazin-7-yl-9H-pyrimido[4,5-b]indole-2,8-diamine
CID 144589872
7-[(5-chloro-6-ethyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]pyrido[2,3-b]pyrazine
CID 123735810
1-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 162324150
(3R)-1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 89470308
5-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.4]heptan-7-amine
CID 89470122
(2R)-N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 126551077
N-[[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methyl]oxolane-2-carboxamide
CID 89470448
6-[[5-bromo-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]furo[3,2-b]pyridine
CID 89460586
7-[[5-chloro-6-ethyl-4-(3-pyridin-3-ylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]pyrido[2,3-b]pyrazine
CID 89470325
[1-(5-chloro-6-ethyl-2-pyrimidin-5-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanamine
CID 89460800
6-[(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 89460569

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine?
The IUPAC name of N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine (CID 140893595) is N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine.
What is the SMILES notation for N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine?
The canonical SMILES for N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine is CCc1[nH]c2nc(Nc3cnc4nccnc4c3)nc(N3CC(CN)C3)c2c1Br.
What is the InChIKey of N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine?
The InChIKey is JRBAXDOOXRTNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN9/c1-2-12-15(20)14-17(26-12)27-19(28-18(14)29-8-10(6-21)9-29)25-11-5-13-16(24-7-11)23-4-3-22-13/h3-5,7,10H,2,6,8-9,21H2,1H3,(H2,25,26,27,28).
What are the key properties of N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine?
N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine has a molecular weight of 454.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)azetidin-1-yl]-5-bromo-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrido[2,3-b]pyrazin-7-amine is sourced from PubChem (CID 140893595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).