4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

C16H16FN5O — CID 141188398

IUPAC4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFc1ccccc1Oc1ccnc2[nH]nc(NC3CCNC3)c12
InChIInChI=1S/C16H16FN5O/c17-11-3-1-2-4-12(11)23-13-6-8-19-15-14(13)16(22-21-15)20-10-5-7-18-9-10/h1-4,6,8,10,18H,5,7,9H2,(H2,19,20,21,22)
InChIKeyGELPEQXPQPWJEA-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.66
Rot. Bonds4

About 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine

4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 141188398) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID141188398
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFc1ccccc1Oc1ccnc2[nH]nc(NC3CCNC3)c12
InChIInChI=1S/C16H16FN5O/c17-11-3-1-2-4-12(11)23-13-6-8-19-15-14(13)16(22-21-15)20-10-5-7-18-9-10/h1-4,6,8,10,18H,5,7,9H2,(H2,19,20,21,22)
InChIKeyGELPEQXPQPWJEA-UHFFFAOYSA-N
XLogP2.66
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenoxy)-N-piperidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 141188379
4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118623628
4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide
CID 118623845
N-[(3R)-piperidin-3-yl]-4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118624583
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
N-[3-fluoro-4-[[3-[[(3S)-3-fluoropiperidin-4-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-4-(4-fluorophenyl)-3-oxopyrazine-2-carboxamide
CID 59531654
N-(3-methyl-4-propan-2-ylphenyl)-3-[[3-(pyrrolidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]benzamide
CID 118623345
N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135204311
4-[[3-[[(3R)-piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623608
4-[4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]phenoxy]-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118623414
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 141188398) is 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine is Fc1ccccc1Oc1ccnc2[nH]nc(NC3CCNC3)c12.
What is the InChIKey of 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GELPEQXPQPWJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c17-11-3-1-2-4-12(11)23-13-6-8-19-15-14(13)16(22-21-15)20-10-5-7-18-9-10/h1-4,6,8,10,18H,5,7,9H2,(H2,19,20,21,22).
What are the key properties of 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine?
4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 313.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 141188398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).