5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile

C18H17FN8 — CID 25171876

IUPAC5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile
SMILESC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1
InChIInChI=1S/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1
InChIKeyXRMZZVRXPFSXIR-JTQLQIEISA-N
MW364.39 g/mol
LogP3.40
Rot. Bonds6

About 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile

5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile (PubChem CID 25171876) has the molecular formula C18H17FN8 and a molecular weight of 364.39 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile
PubChem CID25171876
Molecular FormulaC18H17FN8
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile
SMILESC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1
InChIInChI=1S/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1
InChIKeyXRMZZVRXPFSXIR-JTQLQIEISA-N
XLogP3.40
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile (CID 25171876) is 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile is C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1.
What is the InChIKey of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?
The InChIKey is XRMZZVRXPFSXIR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1.
What are the key properties of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?
5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile has a molecular weight of 364.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 25171876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).