5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile

C18H14N8 — CID 176928573

IUPAC5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)cn1
InChIInChI=1S/C18H14N8/c19-8-12-9-21-16(10-20-12)25-6-4-14-17(23-11-22-14)18(25)15-7-13-3-1-2-5-26(13)24-15/h1-3,5,7,9-11,18H,4,6H2,(H,22,23)/t18-/m1/s1
InChIKeyZHYSMUFNYSFLRA-GOSISDBHSA-N
MW342.37 g/mol
LogP1.87
Rot. Bonds2

About 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile

5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile (PubChem CID 176928573) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
PubChem CID176928573
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)cn1
InChIInChI=1S/C18H14N8/c19-8-12-9-21-16(10-20-12)25-6-4-14-17(23-11-22-14)18(25)15-7-13-3-1-2-5-26(13)24-15/h1-3,5,7,9-11,18H,4,6H2,(H,22,23)/t18-/m1/s1
InChIKeyZHYSMUFNYSFLRA-GOSISDBHSA-N
XLogP1.87
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 176928322
2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 176928537
2-(difluoromethyl)-5-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165311
3-amino-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
CID 176928285
[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane
CID 170394431
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1-pyridin-2-ylazetidin-3-yl)methanone
CID 170333266
2-methyl-6-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 176928797
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 170332717
(S)-[5-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazin-2-yl]-phenylmethanol
CID 177070241
2-(3-fluorocyclobutyl)-1-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 170384391
4-methyl-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxopyrazine-2-carbonitrile
CID 176928372
(3-amino-1-methylpyrazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170333809

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile (CID 176928573) is 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)cn1.
What is the InChIKey of 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile?
The InChIKey is ZHYSMUFNYSFLRA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14N8/c19-8-12-9-21-16(10-20-12)25-6-4-14-17(23-11-22-14)18(25)15-7-13-3-1-2-5-26(13)24-15/h1-3,5,7,9-11,18H,4,6H2,(H,22,23)/t18-/m1/s1.
What are the key properties of 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile?
5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile has a molecular weight of 342.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 176928573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).