(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

C24H20FN7O — CID 177070241

IUPAC(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
SMILESO[C@@H](c1ccccc1)c1cnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)cn1
InChIInChI=1S/C24H20FN7O/c25-16-7-4-9-32-20(16)11-18(30-32)23-22-17(28-14-29-22)8-10-31(23)21-13-26-19(12-27-21)24(33)15-5-2-1-3-6-15/h1-7,9,11-14,23-24,33H,8,10H2,(H,28,29)/t23-,24+/m1/s1
InChIKeyOZCCUYUKNGBCRY-RPWUZVMVSA-N
MW441.47 g/mol
LogP3.22
Rot. Bonds4

About (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

(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 (PubChem CID 177070241) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID177070241
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name(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
SMILESO[C@@H](c1ccccc1)c1cnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)cn1
InChIInChI=1S/C24H20FN7O/c25-16-7-4-9-32-20(16)11-18(30-32)23-22-17(28-14-29-22)8-10-31(23)21-13-26-19(12-27-21)24(33)15-5-2-1-3-6-15/h1-7,9,11-14,23-24,33H,8,10H2,(H,28,29)/t23-,24+/m1/s1
InChIKeyOZCCUYUKNGBCRY-RPWUZVMVSA-N
XLogP3.22
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O[C@@H](c1ccccc1)c1cnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)cn1.
What is the InChIKey of (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?
The InChIKey is OZCCUYUKNGBCRY-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H20FN7O/c25-16-7-4-9-32-20(16)11-18(30-32)23-22-17(28-14-29-22)8-10-31(23)21-13-26-19(12-27-21)24(33)15-5-2-1-3-6-15/h1-7,9,11-14,23-24,33H,8,10H2,(H,28,29)/t23-,24+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 441.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 177070241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).