2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile

C22H20FN7 — CID 176928541

IUPAC2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cccc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(F)cccn3n2)n1
InChIInChI=1S/C22H20FN7/c1-22(2,12-24)18-6-3-7-19(27-18)29-10-8-15-20(26-13-25-15)21(29)16-11-17-14(23)5-4-9-30(17)28-16/h3-7,9,11,13,21H,8,10H2,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyBEBFBVGAMFUKBV-NRFANRHFSA-N
MW401.45 g/mol
LogP3.54
Rot. Bonds3

About 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 176928541) has the molecular formula C22H20FN7 and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID176928541
Molecular FormulaC22H20FN7
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1cccc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(F)cccn3n2)n1
InChIInChI=1S/C22H20FN7/c1-22(2,12-24)18-6-3-7-19(27-18)29-10-8-15-20(26-13-25-15)21(29)16-11-17-14(23)5-4-9-30(17)28-16/h3-7,9,11,13,21H,8,10H2,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyBEBFBVGAMFUKBV-NRFANRHFSA-N
XLogP3.54
TPSA85.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile with MolForge

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Related Compounds

2-(1,1-difluoroethyl)-5-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165119
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
2-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrimidin-2-yl-1,3,4-oxadiazole
CID 170333305
(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-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 169165222
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
CID 169164906
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 169165430
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
2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 176928691
2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 176928518
(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 169165758
cyclopropyl-[4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332751

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 176928541) is 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile is CC(C)(C#N)c1cccc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(F)cccn3n2)n1.
What is the InChIKey of 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is BEBFBVGAMFUKBV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20FN7/c1-22(2,12-24)18-6-3-7-19(27-18)29-10-8-15-20(26-13-25-15)21(29)16-11-17-14(23)5-4-9-30(17)28-16/h3-7,9,11,13,21H,8,10H2,1-2H3,(H,25,26)/t21-/m0/s1.
What are the key properties of 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 401.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 176928541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).