3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C22H22ClFN6O — CID 178130538

IUPAC3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CNCC2
InChIInChI=1S/C22H22ClFN6O/c1-13-19-11-25-6-7-29(19)28-21(13)15-8-14(22-17(23)10-27-30(22)12-15)2-5-20(31)18-4-3-16(24)9-26-18/h3-4,8-10,12,20,25,31H,2,5-7,11H2,1H3
InChIKeyDGRRUDWRLAXTLY-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.46
Rot. Bonds5

About 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 178130538) has the molecular formula C22H22ClFN6O and a molecular weight of 440.91 g/mol. Its IUPAC name is 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID178130538
Molecular FormulaC22H22ClFN6O
Molecular Weight440.91 g/mol
Exact Mass440.15
IUPAC Name3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CNCC2
InChIInChI=1S/C22H22ClFN6O/c1-13-19-11-25-6-7-29(19)28-21(13)15-8-14(22-17(23)10-27-30(22)12-15)2-5-20(31)18-4-3-16(24)9-26-18/h3-4,8-10,12,20,25,31H,2,5-7,11H2,1H3
InChIKeyDGRRUDWRLAXTLY-UHFFFAOYSA-N
XLogP3.46
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol with MolForge

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Related Compounds

{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-6-yl}-methanol
CID 44372296
{4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-3-yl}-methanol
CID 11078813
(2R,3R,4R)-3-(benzotriazol-1-yl)-2-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-4-ol
CID 172444629
[3-(4-Fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-pyrazolo[1,5-a]pyridin-6-yl]-methanol
CID 10359469
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671254
1-[(3-Chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532261
1-[(2-Chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532324
1-[(4-Chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532410
1-[(2-Chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532433
1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 58532497
(5R)-5-[2-(3-chloro-2-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)-4,4a,6,7-tetrahydrocyclopenta[f]indazol-5-ol
CID 68340243
3-[4-chloro-7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]propane-1,2-diol
CID 68820299

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 178130538) is 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is Cc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CNCC2.
What is the InChIKey of 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is DGRRUDWRLAXTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN6O/c1-13-19-11-25-6-7-29(19)28-21(13)15-8-14(22-17(23)10-27-30(22)12-15)2-5-20(31)18-4-3-16(24)9-26-18/h3-4,8-10,12,20,25,31H,2,5-7,11H2,1H3.
What are the key properties of 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 440.91 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 178130538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).