7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine

C23H25F2N7 — CID 157136088

IUPAC7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(F)cc23)nc2c1ccn2CCF
InChIInChI=1S/C23H25F2N7/c1-12-13-2-4-14(5-3-13)18(12)27-21-16-6-8-32(9-7-24)23(16)29-22(28-21)19-17-10-15(25)11-26-20(17)31-30-19/h6,8,10-14,18H,2-5,7,9H2,1H3,(H,26,30,31)(H,27,28,29)
InChIKeyNRXFQYMXDHDIHR-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.71
Rot. Bonds5

About 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 157136088) has the molecular formula C23H25F2N7 and a molecular weight of 437.50 g/mol. Its IUPAC name is 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID157136088
Molecular FormulaC23H25F2N7
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(F)cc23)nc2c1ccn2CCF
InChIInChI=1S/C23H25F2N7/c1-12-13-2-4-14(5-3-13)18(12)27-21-16-6-8-32(9-7-24)23(16)29-22(28-21)19-17-10-15(25)11-26-20(17)31-30-19/h6,8,10-14,18H,2-5,7,9H2,1H3,(H,26,30,31)(H,27,28,29)
InChIKeyNRXFQYMXDHDIHR-UHFFFAOYSA-N
XLogP4.71
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-3-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-(5-phenylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]thieno[2,3-d]pyrimidin-4-amine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-methyl-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrrolo[2,3-d]pyrimidine
CID 161012562
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 138746680
(2S,3S)-3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[5-(1-methylpyrrol-2-yl)furan-2-yl]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 135217957
N-(2-bicyclo[2.2.2]octanyl)-5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-amine
CID 167449433
N-(2-bicyclo[2.2.2]octanyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 135218094
3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 155239602
5-fluoro-3-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-(5-thiophen-2-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 157393308
ethyl (2S,3S)-3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate
CID 170117430
(2S,3S)-3-[[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-yliodanuidyloxybicyclo[2.2.2]octane-2-carboxamide
CID 167449462
2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 158309890
6-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
CID 159060044
3-[4-[[(3R)-3-ethyl-2-bicyclo[2.2.2]octanyl]methyl]-5-fluoropyrimidin-2-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridine
CID 157498812

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 157136088) is 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3ncc(F)cc23)nc2c1ccn2CCF.
What is the InChIKey of 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NRXFQYMXDHDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7/c1-12-13-2-4-14(5-3-13)18(12)27-21-16-6-8-32(9-7-24)23(16)29-22(28-21)19-17-10-15(25)11-26-20(17)31-30-19/h6,8,10-14,18H,2-5,7,9H2,1H3,(H,26,30,31)(H,27,28,29).
What are the key properties of 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 437.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethyl)-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157136088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).