4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

C22H26F2N8O3 — CID 121409204

IUPAC4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C22H26F2N8O3/c1-12(10-33)26-19(34)18-27-20(29-21(28-18)35-11-14-9-22(14,23)24)32-7-4-13(5-8-32)16-15-3-2-6-25-17(15)31-30-16/h2-3,6,12-14,33H,4-5,7-11H2,1H3,(H,26,34)(H,25,30,31)/t12-,14?/m1/s1
InChIKeyZPCBBPWDLNOYTK-PUODRLBUSA-N
MW488.50 g/mol
LogP1.67
Rot. Bonds8

About 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 121409204) has the molecular formula C22H26F2N8O3 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
PubChem CID121409204
Molecular FormulaC22H26F2N8O3
Molecular Weight488.50 g/mol
Exact Mass488.21
IUPAC Name4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C22H26F2N8O3/c1-12(10-33)26-19(34)18-27-20(29-21(28-18)35-11-14-9-22(14,23)24)32-7-4-13(5-8-32)16-15-3-2-6-25-17(15)31-30-16/h2-3,6,12-14,33H,4-5,7-11H2,1H3,(H,26,34)(H,25,30,31)/t12-,14?/m1/s1
InChIKeyZPCBBPWDLNOYTK-PUODRLBUSA-N
XLogP1.67
TPSA142.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide with MolForge

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Related Compounds

(R)-2-((S)-4-(3,5-difluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53308750
5-Fluoro-2-[(3S)-3-[(1R)-1-hydroxy-1,2-dimethylpropyl]-1-piperazinyl]-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinecarbonitrile
CID 53354075
(2R)-2-[(2S)-4-[5-fluoro-3-(hydroxymethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 53354478
(2R)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583135
(2S)-2-[(2S)-4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583137
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45107770
3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 45108081
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]morpholine-4-carboxamide
CID 57385110
3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949700
3-[3-fluoro-6-[(3R,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949769
3-[3-fluoro-6-[(3R)-3-(methoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949771
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949780

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (CID 121409204) is 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is C[C@H](CO)NC(=O)c1nc(OCC2CC2(F)F)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.
What is the InChIKey of 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is ZPCBBPWDLNOYTK-PUODRLBUSA-N. The full InChI is InChI=1S/C22H26F2N8O3/c1-12(10-33)26-19(34)18-27-20(29-21(28-18)35-11-14-9-22(14,23)24)32-7-4-13(5-8-32)16-15-3-2-6-25-17(15)31-30-16/h2-3,6,12-14,33H,4-5,7-11H2,1H3,(H,26,34)(H,25,30,31)/t12-,14?/m1/s1.
What are the key properties of 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-1-hydroxypropan-2-yl]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).