4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile

C23H23FN8 — CID 170440388

IUPAC4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCCn1cc(-c2c(-c3ccc(C#N)c(F)c3)nc3c(N4CCC[C@@H](N)C4)nccn23)cn1
InChIInChI=1S/C23H23FN8/c1-2-31-13-17(12-28-31)21-20(15-5-6-16(11-25)19(24)10-15)29-23-22(27-7-9-32(21)23)30-8-3-4-18(26)14-30/h5-7,9-10,12-13,18H,2-4,8,14,26H2,1H3/t18-/m1/s1
InChIKeyRANYZBUUAOFMHV-GOSISDBHSA-N
MW430.49 g/mol
LogP3.22
Rot. Bonds4

About 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile

4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 170440388) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID170440388
Molecular FormulaC23H23FN8
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC Name4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCCn1cc(-c2c(-c3ccc(C#N)c(F)c3)nc3c(N4CCC[C@@H](N)C4)nccn23)cn1
InChIInChI=1S/C23H23FN8/c1-2-31-13-17(12-28-31)21-20(15-5-6-16(11-25)19(24)10-15)29-23-22(27-7-9-32(21)23)30-8-3-4-18(26)14-30/h5-7,9-10,12-13,18H,2-4,8,14,26H2,1H3/t18-/m1/s1
InChIKeyRANYZBUUAOFMHV-GOSISDBHSA-N
XLogP3.22
TPSA101.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170261953
2-fluoro-4-[3-[3-hydrazinyl-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-8-[(3R)-3-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 170262034
4-[8-[(3S,4R)-3-amino-4-fluoropiperidin-1-yl]-3-(1-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170440414
(3R)-1-[2-(3-fluoro-4-isocyanophenyl)-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-amine
CID 170533953
tert-butyl N-[(3R)-1-[2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]carbamate
CID 170262177
4-[3-[5-amino-2-fluoro-4-(methylamino)phenyl]-8-[(3S,4R)-4-fluoro-3-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170262066
4-[8-[(3R)-3-(azetidin-1-yl)piperidin-1-yl]-3-[6-fluoro-1-(2-hydroxy-2-methylpropyl)benzotriazol-5-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170440406
4-[8-[(3S)-4,4-difluoro-3-(methylamino)piperidin-1-yl]-3-(6-fluoro-1-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170440431
2-fluoro-4-[8-[(3S,5R)-3-fluoro-5-(methylamino)piperidin-1-yl]-3-(1-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 170440430
2-fluoro-4-[8-[(3R,5R)-3-fluoro-5-(methylamino)piperidin-1-yl]-3-(1-methylbenzotriazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 170440429
tert-butyl N-[(3R)-1-[2-(4-cyano-3-fluorophenyl)-3-[6-fluoro-1-[(1-hydroxycyclobutyl)methyl]benzotriazol-5-yl]imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]carbamate
CID 170440503
4-[8-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-[6-fluoro-1-(2-hydroxy-2-methylpropyl)benzotriazol-5-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile
CID 170440392

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile (CID 170440388) is 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile is CCn1cc(-c2c(-c3ccc(C#N)c(F)c3)nc3c(N4CCC[C@@H](N)C4)nccn23)cn1.
What is the InChIKey of 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is RANYZBUUAOFMHV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23FN8/c1-2-31-13-17(12-28-31)21-20(15-5-6-16(11-25)19(24)10-15)29-23-22(27-7-9-32(21)23)30-8-3-4-18(26)14-30/h5-7,9-10,12-13,18H,2-4,8,14,26H2,1H3/t18-/m1/s1.
What are the key properties of 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile?
4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 430.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(3R)-3-aminopiperidin-1-yl]-3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 170440388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).