7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide

C17H17FN6O — CID 124885580

IUPAC7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
SMILESCn1cc(N2CC[C@H](NC(=O)c3cc(F)cc4nccnc34)C2)cn1
InChIInChI=1S/C17H17FN6O/c1-23-10-13(8-21-23)24-5-2-12(9-24)22-17(25)14-6-11(18)7-15-16(14)20-4-3-19-15/h3-4,6-8,10,12H,2,5,9H2,1H3,(H,22,25)/t12-/m0/s1
InChIKeyIIGRNNKOMLVWJW-LBPRGKRZSA-N
MW340.36 g/mol
LogP1.51
Rot. Bonds3

About 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide

7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide (PubChem CID 124885580) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
PubChem CID124885580
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
SMILESCn1cc(N2CC[C@H](NC(=O)c3cc(F)cc4nccnc34)C2)cn1
InChIInChI=1S/C17H17FN6O/c1-23-10-13(8-21-23)24-5-2-12(9-24)22-17(25)14-6-11(18)7-15-16(14)20-4-3-19-15/h3-4,6-8,10,12H,2,5,9H2,1H3,(H,22,25)/t12-/m0/s1
InChIKeyIIGRNNKOMLVWJW-LBPRGKRZSA-N
XLogP1.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide (CID 124885580) is 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide is Cn1cc(N2CC[C@H](NC(=O)c3cc(F)cc4nccnc34)C2)cn1.
What is the InChIKey of 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide?
The InChIKey is IIGRNNKOMLVWJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-23-10-13(8-21-23)24-5-2-12(9-24)22-17(25)14-6-11(18)7-15-16(14)20-4-3-19-15/h3-4,6-8,10,12H,2,5,9H2,1H3,(H,22,25)/t12-/m0/s1.
What are the key properties of 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide?
7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 124885580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).