[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol

C25H24ClFN4O4 — CID 169023575

IUPAC[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol
SMILESCOc1cccc(Oc2ccc(-c3nn(C4CCC(CO)OC4)c4c(Cl)cnc(N)c34)cc2)c1F
InChIInChI=1S/C25H24ClFN4O4/c1-33-19-3-2-4-20(22(19)27)35-16-8-5-14(6-9-16)23-21-24(18(26)11-29-25(21)28)31(30-23)15-7-10-17(12-32)34-13-15/h2-6,8-9,11,15,17,32H,7,10,12-13H2,1H3,(H2,28,29)
InChIKeyMPWBVBBFJLFWHY-UHFFFAOYSA-N
MW498.94 g/mol
LogP4.99
Rot. Bonds6

About [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol

[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol (PubChem CID 169023575) has the molecular formula C25H24ClFN4O4 and a molecular weight of 498.94 g/mol. Its IUPAC name is [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol
PubChem CID169023575
Molecular FormulaC25H24ClFN4O4
Molecular Weight498.94 g/mol
Exact Mass498.15
IUPAC Name[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol
SMILESCOc1cccc(Oc2ccc(-c3nn(C4CCC(CO)OC4)c4c(Cl)cnc(N)c34)cc2)c1F
InChIInChI=1S/C25H24ClFN4O4/c1-33-19-3-2-4-20(22(19)27)35-16-8-5-14(6-9-16)23-21-24(18(26)11-29-25(21)28)31(30-23)15-7-10-17(12-32)34-13-15/h2-6,8-9,11,15,17,32H,7,10,12-13H2,1H3,(H2,28,29)
InChIKeyMPWBVBBFJLFWHY-UHFFFAOYSA-N
XLogP4.99
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-(4-methylcyclohexyl)pyrazolo[4,5-c]pyridin-4-amine
CID 155007058
[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 163583745
cis-(1S,3R)-3-[4-amino-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol
CID 154638056
4-[4-amino-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1,2-diol
CID 154646319
[3-[4-amino-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl] acetate
CID 175040833
[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023566
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methyl-1-[(3R)-pyrrolidin-3-yl]pyrazolo[4,5-c]pyridine
CID 130247776
1-[(3R)-3-[7-(2-aminoethoxy)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465274
1-[3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-hydroxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247909
[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023560
4-[4-[4-amino-7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]phenoxy]pyridine-3-carbonitrile
CID 134521416
1-[(3R)-3-[7-[2-(dimethylamino)ethoxy]-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]but-2-yn-1-one
CID 130247731

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol?
The IUPAC name of [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol (CID 169023575) is [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol.
What is the SMILES notation for [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol?
The canonical SMILES for [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol is COc1cccc(Oc2ccc(-c3nn(C4CCC(CO)OC4)c4c(Cl)cnc(N)c34)cc2)c1F.
What is the InChIKey of [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol?
The InChIKey is MPWBVBBFJLFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O4/c1-33-19-3-2-4-20(22(19)27)35-16-8-5-14(6-9-16)23-21-24(18(26)11-29-25(21)28)31(30-23)15-7-10-17(12-32)34-13-15/h2-6,8-9,11,15,17,32H,7,10,12-13H2,1H3,(H2,28,29).
What are the key properties of [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol?
[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol has a molecular weight of 498.94 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol is sourced from PubChem (CID 169023575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).