[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C16H14ClFN4O2 — CID 67372554

IUPAC[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)nc12
InChIInChI=1S/C16H14ClFN4O2/c1-8(2)21-16(23)24-13-7-20-15-14(13)22-12(6-19-15)9-3-10(17)5-11(18)4-9/h3-8H,1-2H3,(H,19,20)(H,21,23)
InChIKeyCCPWDKYBUJJTAY-UHFFFAOYSA-N
MW348.77 g/mol
LogP3.91
Rot. Bonds3

About [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67372554) has the molecular formula C16H14ClFN4O2 and a molecular weight of 348.77 g/mol. Its IUPAC name is [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67372554
Molecular FormulaC16H14ClFN4O2
Molecular Weight348.77 g/mol
Exact Mass348.08
IUPAC Name[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)nc12
InChIInChI=1S/C16H14ClFN4O2/c1-8(2)21-16(23)24-13-7-20-15-14(13)22-12(6-19-15)9-3-10(17)5-11(18)4-9/h3-8H,1-2H3,(H,19,20)(H,21,23)
InChIKeyCCPWDKYBUJJTAY-UHFFFAOYSA-N
XLogP3.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67371878
CID 67371878
CID 67383076
CID 67383076
CID 89836801
CID 89836801
CID 126597483
CID 126597483
CID 126597487
CID 126597487
CID 126597488
CID 126597488
CID 126597501
CID 126597501
CID 126597509
CID 126597509
CID 126597511
CID 126597511
CID 126597512
CID 126597512
CID 126597513
CID 126597513
CID 126597522
CID 126597522

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67372554) is [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)nc12.
What is the InChIKey of [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is CCPWDKYBUJJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2/c1-8(2)21-16(23)24-13-7-20-15-14(13)22-12(6-19-15)9-3-10(17)5-11(18)4-9/h3-8H,1-2H3,(H,19,20)(H,21,23).
What are the key properties of [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 348.77 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67372554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).