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

C22H21ClN8OS — CID 71716483

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]cyclopropanecarboxamide
SMILESCCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)C4CC4)C3)c2c1Cl
InChIInChI=1S/C22H21ClN8OS/c1-2-14-17(23)16-19(28-14)29-22(33-13-7-15-18(26-8-13)25-6-5-24-15)30-20(16)31-9-12(10-31)27-21(32)11-3-4-11/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,32)(H,28,29,30)
InChIKeyFQMAAQBLDYOSFB-UHFFFAOYSA-N
MW480.99 g/mol
LogP3.38
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]cyclopropanecarboxamide

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 (PubChem CID 71716483) has the molecular formula C22H21ClN8OS and a molecular weight of 480.99 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]cyclopropanecarboxamide.

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]cyclopropanecarboxamide
PubChem CID71716483
Molecular FormulaC22H21ClN8OS
Molecular Weight480.99 g/mol
Exact Mass480.12
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]cyclopropanecarboxamide
SMILESCCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)C4CC4)C3)c2c1Cl
InChIInChI=1S/C22H21ClN8OS/c1-2-14-17(23)16-19(28-14)29-22(33-13-7-15-18(26-8-13)25-6-5-24-15)30-20(16)31-9-12(10-31)27-21(32)11-3-4-11/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,32)(H,28,29,30)
InChIKeyFQMAAQBLDYOSFB-UHFFFAOYSA-N
XLogP3.38
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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]cyclopropanecarboxamide with MolForge

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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]cyclopropanecarboxamide?
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]cyclopropanecarboxamide (CID 71716483) 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]cyclopropanecarboxamide.
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]cyclopropanecarboxamide?
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]cyclopropanecarboxamide is CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(NC(=O)C4CC4)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]cyclopropanecarboxamide?
The InChIKey is FQMAAQBLDYOSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8OS/c1-2-14-17(23)16-19(28-14)29-22(33-13-7-15-18(26-8-13)25-6-5-24-15)30-20(16)31-9-12(10-31)27-21(32)11-3-4-11/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,32)(H,28,29,30).
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]cyclopropanecarboxamide?
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 has a molecular weight of 480.99 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]cyclopropanecarboxamide is sourced from PubChem (CID 71716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).