[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol

C15H22N4O2 — CID 59683229

IUPAC[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESCCn1ncc2c(NC3CCOCC3)c(CO)c(C)nc21
InChIInChI=1S/C15H22N4O2/c1-3-19-15-12(8-16-19)14(13(9-20)10(2)17-15)18-11-4-6-21-7-5-11/h8,11,20H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyBROIUAZQURZYQP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.84
Rot. Bonds4

About [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol

[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol (PubChem CID 59683229) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
PubChem CID59683229
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESCCn1ncc2c(NC3CCOCC3)c(CO)c(C)nc21
InChIInChI=1S/C15H22N4O2/c1-3-19-15-12(8-16-19)14(13(9-20)10(2)17-15)18-11-4-6-21-7-5-11/h8,11,20H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyBROIUAZQURZYQP-UHFFFAOYSA-N
XLogP1.84
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]propanamide
CID 67031365
N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[3-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenyl]benzamide
CID 25065398
N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-hydroxy-4-methylbenzamide
CID 67031573
1-ethyl-5-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-6-methyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 67031220
N,N'-bis[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pentanediamide
CID 25066850
1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 89190843
5-(chloromethyl)-1-ethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 67031384
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
6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 140522524
[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]azanide;tungsten
CID 140522534
3-[1-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidin-3-yl]-1-(4-hydroxyphenyl)propan-1-one
CID 67031305
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]piperidine-4-carboxamide
CID 68638662

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol?
The IUPAC name of [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol (CID 59683229) is [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol.
What is the SMILES notation for [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol?
The canonical SMILES for [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol is CCn1ncc2c(NC3CCOCC3)c(CO)c(C)nc21.
What is the InChIKey of [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol?
The InChIKey is BROIUAZQURZYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-19-15-12(8-16-19)14(13(9-20)10(2)17-15)18-11-4-6-21-7-5-11/h8,11,20H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol?
[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol has a molecular weight of 290.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol is sourced from PubChem (CID 59683229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).