trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol

C17H24N4O — CID 129485289

IUPACtrans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)ccnc21
InChIInChI=1S/C17H24N4O/c1-20-17-13(11-19-20)15(8-9-18-17)21-10-4-6-14(21)12-5-2-3-7-16(12)22/h8-9,11-12,14,16,22H,2-7,10H2,1H3/t12-,14+,16-/m0/s1
InChIKeyWIHSVVCRXQBIGK-BJJXKVORSA-N
MW300.41 g/mol
LogP2.49
Rot. Bonds2

About trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129485289) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129485289
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Nametrans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)ccnc21
InChIInChI=1S/C17H24N4O/c1-20-17-13(11-19-20)15(8-9-18-17)21-10-4-6-14(21)12-5-2-3-7-16(12)22/h8-9,11-12,14,16,22H,2-7,10H2,1H3/t12-,14+,16-/m0/s1
InChIKeyWIHSVVCRXQBIGK-BJJXKVORSA-N
XLogP2.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 124885077
(2S,4R)-4-fluoro-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidine-2-carboxamide
CID 120928941
(3R,5R)-5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 129350777
5-(2,5-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 128975508
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 103024217
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 102735158
1-[(2R)-2-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95345257
cis-(1R,2S)-2-[(2R)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129480645
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339595

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 129485289) is trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol is Cn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)ccnc21.
What is the InChIKey of trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is WIHSVVCRXQBIGK-BJJXKVORSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-17-13(11-19-20)15(8-9-18-17)21-10-4-6-14(21)12-5-2-3-7-16(12)22/h8-9,11-12,14,16,22H,2-7,10H2,1H3/t12-,14+,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 300.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2R)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129485289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).