N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C16H17FN4 — CID 28683271

IUPACN-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NCc3ccc(F)cc3)cnc21
InChIInChI=1S/C16H17FN4/c1-11(2)21-16-13(9-20-21)7-15(10-19-16)18-8-12-3-5-14(17)6-4-12/h3-7,9-11,18H,8H2,1-2H3
InChIKeyFBUNDTHODZDTCM-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.76
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 28683271) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID28683271
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NCc3ccc(F)cc3)cnc21
InChIInChI=1S/C16H17FN4/c1-11(2)21-16-13(9-20-21)7-15(10-19-16)18-8-12-3-5-14(17)6-4-12/h3-7,9-11,18H,8H2,1-2H3
InChIKeyFBUNDTHODZDTCM-UHFFFAOYSA-N
XLogP3.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 55161070
N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683322
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 41466802
N-[(2-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 43663311
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683323
1-[2-(4-fluorophenyl)ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040134
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine
CID 63656201
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28781610
1-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040136
N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 79708149
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
1-[[4-(dimethylamino)phenyl]methyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040119

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 28683271) is N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is CC(C)n1ncc2cc(NCc3ccc(F)cc3)cnc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is FBUNDTHODZDTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-11(2)21-16-13(9-20-21)7-15(10-19-16)18-8-12-3-5-14(17)6-4-12/h3-7,9-11,18H,8H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 284.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 28683271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).