3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C19H18N6O — CID 170511440

IUPAC3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2n[nH]c(-c3nccn3[C@@H]3COC[C@H]3Cc3ccncc3)c2c1
InChIInChI=1S/C19H18N6O/c1-2-15-17(23-24-18(15)21-5-1)19-22-8-9-25(19)16-12-26-11-14(16)10-13-3-6-20-7-4-13/h1-9,14,16H,10-12H2,(H,21,23,24)/t14-,16-/m1/s1
InChIKeyBIGSQGGQNZJHFT-GDBMZVCRSA-N
MW346.39 g/mol
LogP2.65
Rot. Bonds4

About 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 170511440) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID170511440
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2n[nH]c(-c3nccn3[C@@H]3COC[C@H]3Cc3ccncc3)c2c1
InChIInChI=1S/C19H18N6O/c1-2-15-17(23-24-18(15)21-5-1)19-22-8-9-25(19)16-12-26-11-14(16)10-13-3-6-20-7-4-13/h1-9,14,16H,10-12H2,(H,21,23,24)/t14-,16-/m1/s1
InChIKeyBIGSQGGQNZJHFT-GDBMZVCRSA-N
XLogP2.65
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,3aR,6R,6aR)-3-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 166612280
4-[[(3S,4S)-4-[2-(4-chloro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170513336
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623324
formic acid;4-[[(3S,4S)-4-[2-(4-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 171708775
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194
4-[[(3S,4S)-4-[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623160
2-methoxy-4-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620963
2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620172
4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166618531
5,7-dimethyl-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166620296
4-[[(3R,4S)-4-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine;formic acid
CID 171706955

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 170511440) is 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is c1cnc2n[nH]c(-c3nccn3[C@@H]3COC[C@H]3Cc3ccncc3)c2c1.
What is the InChIKey of 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BIGSQGGQNZJHFT-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-15-17(23-24-18(15)21-5-1)19-22-8-9-25(19)16-12-26-11-14(16)10-13-3-6-20-7-4-13/h1-9,14,16H,10-12H2,(H,21,23,24)/t14-,16-/m1/s1.
What are the key properties of 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 346.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 170511440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).