3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine

C18H18ClF2N7O — CID 121409456

IUPAC3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC1(F)C[C@@H]1COc1nc(Cl)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C18H18ClF2N7O/c19-15-23-16(25-17(24-15)29-9-11-8-18(11,20)21)28-6-3-10(4-7-28)13-12-2-1-5-22-14(12)27-26-13/h1-2,5,10-11H,3-4,6-9H2,(H,22,26,27)/t11-/m1/s1
InChIKeyNWIPBHNABWGXQU-LLVKDONJSA-N
MW421.84 g/mol
LogP3.21
Rot. Bonds5

About 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine

3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 121409456) has the molecular formula C18H18ClF2N7O and a molecular weight of 421.84 g/mol. Its IUPAC name is 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID121409456
Molecular FormulaC18H18ClF2N7O
Molecular Weight421.84 g/mol
Exact Mass421.12
IUPAC Name3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESFC1(F)C[C@@H]1COc1nc(Cl)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C18H18ClF2N7O/c19-15-23-16(25-17(24-15)29-9-11-8-18(11,20)21)28-6-3-10(4-7-28)13-12-2-1-5-22-14(12)27-26-13/h1-2,5,10-11H,3-4,6-9H2,(H,22,26,27)/t11-/m1/s1
InChIKeyNWIPBHNABWGXQU-LLVKDONJSA-N
XLogP3.21
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

N-(1-bicyclo[1.1.1]pentanyl)-4-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 121409546
N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 126683869
cis-(1R,2S)-2-[[4-chloro-6-[4-(4-methyl-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 121409066
1-[[4-butanoyl-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 157092373
N-(cyclopropylmethyl)-4-methoxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 145103344
N-(oxetan-3-yl)-4-(oxolan-2-ylmethoxy)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 139397976
4-[(1-cyanocyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2-carboxamide
CID 121409617
4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 126683934
(3,3-difluoropyrrolidin-1-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 121409628
(2,2-difluoropropylamino)-[4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methanol
CID 126683967
(3,3-difluoroazetidin-1-yl)-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 121409299
N-(1-bicyclo[1.1.1]pentanyl)-2-[(2R)-2-hydroxypropoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 121408988

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine (CID 121409456) is 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine is FC1(F)C[C@@H]1COc1nc(Cl)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.
What is the InChIKey of 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NWIPBHNABWGXQU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClF2N7O/c19-15-23-16(25-17(24-15)29-9-11-8-18(11,20)21)28-6-3-10(4-7-28)13-12-2-1-5-22-14(12)27-26-13/h1-2,5,10-11H,3-4,6-9H2,(H,22,26,27)/t11-/m1/s1.
What are the key properties of 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine?
3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 421.84 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-chloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 121409456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).