2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol

C24H28FN5O2 — CID 91434217

IUPAC2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1Cn1cc2ccc(F)cc2c1O
InChIInChI=1S/C24H28FN5O2/c1-3-21-20(14-29-13-15-5-6-16(25)11-18(15)24(29)31)22(27-17-7-9-32-10-8-17)19-12-26-30(4-2)23(19)28-21/h5-6,11-13,17,31H,3-4,7-10,14H2,1-2H3,(H,27,28)
InChIKeyNYIIAPCKAMWNFM-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.45
Rot. Bonds6

About 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol

2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol (PubChem CID 91434217) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol.

Molecular Properties

Compound Name2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol
PubChem CID91434217
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1Cn1cc2ccc(F)cc2c1O
InChIInChI=1S/C24H28FN5O2/c1-3-21-20(14-29-13-15-5-6-16(25)11-18(15)24(29)31)22(27-17-7-9-32-10-8-17)19-12-26-30(4-2)23(19)28-21/h5-6,11-13,17,31H,3-4,7-10,14H2,1-2H3,(H,27,28)
InChIKeyNYIIAPCKAMWNFM-UHFFFAOYSA-N
XLogP4.45
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N'-bis[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pentanediamide
CID 25066850
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide
CID 68638662
CID 89164042
CID 89164042
benzenesulfonic acid;5-(chloromethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 87243328
4-tert-butyl-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
CID 67031407
CID 89164319
CID 89164319
CID 89164450
CID 89164450
1-(3-methyl-1,2-oxazol-5-yl)ethanone;1,5,6-triethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 143430265
[3-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]benzoyl]oxidanium
CID 163503729
[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 59683229
[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten
CID 140522534
2-amino-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
CID 58024772

Frequently Asked Questions

What is the IUPAC name of 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol?
The IUPAC name of 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol (CID 91434217) is 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol.
What is the SMILES notation for 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol?
The canonical SMILES for 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol is CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1Cn1cc2ccc(F)cc2c1O.
What is the InChIKey of 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol?
The InChIKey is NYIIAPCKAMWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-3-21-20(14-29-13-15-5-6-16(25)11-18(15)24(29)31)22(27-17-7-9-32-10-8-17)19-12-26-30(4-2)23(19)28-21/h5-6,11-13,17,31H,3-4,7-10,14H2,1-2H3,(H,27,28).
What are the key properties of 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol?
2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol has a molecular weight of 437.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-6-fluoroisoindol-1-ol is sourced from PubChem (CID 91434217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).