1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

C23H23FN6O2 — CID 146216032

IUPAC1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC(c4ccc(F)cc4)C(C)(C)O)ncc32)ccn1
InChIInChI=1S/C23H23FN6O2/c1-14-10-18(8-9-25-14)30-19-13-26-20(11-16(19)12-27-30)28-22(31)29-21(23(2,3)32)15-4-6-17(24)7-5-15/h4-13,21,32H,1-3H3,(H2,26,28,29,31)
InChIKeyYXPIBEWOAUKLSN-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.90
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 146216032) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID146216032
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC(c4ccc(F)cc4)C(C)(C)O)ncc32)ccn1
InChIInChI=1S/C23H23FN6O2/c1-14-10-18(8-9-25-14)30-19-13-26-20(11-16(19)12-27-30)28-22(31)29-21(23(2,3)32)15-4-6-17(24)7-5-15/h4-13,21,32H,1-3H3,(H2,26,28,29,31)
InChIKeyYXPIBEWOAUKLSN-UHFFFAOYSA-N
XLogP3.90
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121432326
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416514
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenyl-3-piperidin-1-ylpropyl)urea
CID 121418052
1-[(3S,4S)-4-[(5-fluoro-3-pyridinyl)oxy]pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416567
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416712
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416741
1-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416699
1-[(3S,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 130451676
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[[3-(1,2-oxazol-3-yl)phenyl]methyl]urea
CID 121416587
[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl] carbamate
CID 118381017
1-[(3,4-dichlorophenyl)methyl]-3-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121432318

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 146216032) is 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)NC(c4ccc(F)cc4)C(C)(C)O)ncc32)ccn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is YXPIBEWOAUKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-10-18(8-9-25-14)30-19-13-26-20(11-16(19)12-27-30)28-22(31)29-21(23(2,3)32)15-4-6-17(24)7-5-15/h4-13,21,32H,1-3H3,(H2,26,28,29,31).
What are the key properties of 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 434.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 146216032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).