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]pyrazine-2-carboxamide

C23H19ClN10OS — CID 71716484

IUPACN-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4cnccn4)C3)c2c1Cl
InChIInChI=1S/C23H19ClN10OS/c1-2-14-18(24)17-20(31-14)32-23(36-13-7-15-19(29-8-13)28-6-5-26-15)33-21(17)34-10-12(11-34)30-22(35)16-9-25-3-4-27-16/h3-9,12H,2,10-11H2,1H3,(H,30,35)(H,31,32,33)
InChIKeySQZMLHCXCWRILQ-UHFFFAOYSA-N
MW518.99 g/mol
LogP3.07
Rot. Bonds6

About 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]pyrazine-2-carboxamide

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]pyrazine-2-carboxamide (PubChem CID 71716484) has the molecular formula C23H19ClN10OS and a molecular weight of 518.99 g/mol. Its IUPAC name is 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]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazine-2-carboxamide
PubChem CID71716484
Molecular FormulaC23H19ClN10OS
Molecular Weight518.99 g/mol
Exact Mass518.12
IUPAC NameN-[1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4cnccn4)C3)c2c1Cl
InChIInChI=1S/C23H19ClN10OS/c1-2-14-18(24)17-20(31-14)32-23(36-13-7-15-19(29-8-13)28-6-5-26-15)33-21(17)34-10-12(11-34)30-22(35)16-9-25-3-4-27-16/h3-9,12H,2,10-11H2,1H3,(H,30,35)(H,31,32,33)
InChIKeySQZMLHCXCWRILQ-UHFFFAOYSA-N
XLogP3.07
TPSA138.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.99
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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]pyrazine-2-carboxamide with MolForge

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Related Compounds

7-({4-[(3r)-3-Aminopyrrolidin-1-Yl]-5-Chloro-6-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl}sulfanyl)pyrido[2,3-B]pyrazin-2(1h)-One
CID 70699420
(3r)-1-[5-Chloro-6-Ethyl-2-(Pyrido[2,3-B]pyrazin-7-Ylsulfanyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl]pyrrolidin-3-Amine
CID 70699434
5-chloro-2-ethyl-9-methyl-13-[(1H-purin-6-ylsulfanyl)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470709
3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 52920470
(1R,5S)-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 53378455
7-(4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylthio)pyrido[3,2-b]pyrazine
CID 67034721
N-(1-(5-chloro-6-ethyl-2-(pyrido[3,2-b]pyrazin-7-ylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-yl)methanesulfonamide
CID 67035060
1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 71562847
(1S,5R)-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 71562969
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]cyclopropanecarboxamide
CID 71716483
3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 71717588
(3R)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 71718792

Frequently Asked Questions

What is the IUPAC name of 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]pyrazine-2-carboxamide?
The IUPAC name of 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]pyrazine-2-carboxamide (CID 71716484) is 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]pyrazine-2-carboxamide.
What is the SMILES notation for 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]pyrazine-2-carboxamide?
The canonical SMILES for 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]pyrazine-2-carboxamide is CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)c4cnccn4)C3)c2c1Cl.
What is the InChIKey of 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]pyrazine-2-carboxamide?
The InChIKey is SQZMLHCXCWRILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN10OS/c1-2-14-18(24)17-20(31-14)32-23(36-13-7-15-19(29-8-13)28-6-5-26-15)33-21(17)34-10-12(11-34)30-22(35)16-9-25-3-4-27-16/h3-9,12H,2,10-11H2,1H3,(H,30,35)(H,31,32,33).
What are the key properties of 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]pyrazine-2-carboxamide?
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]pyrazine-2-carboxamide has a molecular weight of 518.99 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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]pyrazine-2-carboxamide is sourced from PubChem (CID 71716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).