5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C19H18FN7O — CID 159353885

IUPAC5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3c(F)cccc3OC[C@H]3CCNC3)[nH]n2)cn1
InChIInChI=1S/C19H18FN7O/c20-14-2-1-3-16(28-11-12-4-5-22-8-12)19(14)15-6-17(27-26-15)25-18-10-23-13(7-21)9-24-18/h1-3,6,9-10,12,22H,4-5,8,11H2,(H2,24,25,26,27)/t12-/m0/s1
InChIKeyLHRCSEJHBIGPCB-LBPRGKRZSA-N
MW379.40 g/mol
LogP2.61
Rot. Bonds6

About 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 159353885) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID159353885
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3c(F)cccc3OC[C@H]3CCNC3)[nH]n2)cn1
InChIInChI=1S/C19H18FN7O/c20-14-2-1-3-16(28-11-12-4-5-22-8-12)19(14)15-6-17(27-26-15)25-18-10-23-13(7-21)9-24-18/h1-3,6,9-10,12,22H,4-5,8,11H2,(H2,24,25,26,27)/t12-/m0/s1
InChIKeyLHRCSEJHBIGPCB-LBPRGKRZSA-N
XLogP2.61
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 159353885) is 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3c(F)cccc3OC[C@H]3CCNC3)[nH]n2)cn1.
What is the InChIKey of 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is LHRCSEJHBIGPCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN7O/c20-14-2-1-3-16(28-11-12-4-5-22-8-12)19(14)15-6-17(27-26-15)25-18-10-23-13(7-21)9-24-18/h1-3,6,9-10,12,22H,4-5,8,11H2,(H2,24,25,26,27)/t12-/m0/s1.
What are the key properties of 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 379.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-fluoro-6-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 159353885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).