5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine

C15H16N4O — CID 118676645

IUPAC5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESc1cc2nc(-c3cnn(C4CCCCO4)c3)ccc2[nH]1
InChIInChI=1S/C15H16N4O/c1-2-8-20-15(3-1)19-10-11(9-17-19)12-4-5-13-14(18-12)6-7-16-13/h4-7,9-10,15-16H,1-3,8H2
InChIKeyRSMKPJQHHQTTPE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds2

About 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine

5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118676645) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID118676645
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
SMILESc1cc2nc(-c3cnn(C4CCCCO4)c3)ccc2[nH]1
InChIInChI=1S/C15H16N4O/c1-2-8-20-15(3-1)19-10-11(9-17-19)12-4-5-13-14(18-12)6-7-16-13/h4-7,9-10,15-16H,1-3,8H2
InChIKeyRSMKPJQHHQTTPE-UHFFFAOYSA-N
XLogP3.13
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
CID 118676597
1-[[(3S,5R)-5-methylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676759
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676683
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 165117179
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine (CID 118676645) is 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine is c1cc2nc(-c3cnn(C4CCCCO4)c3)ccc2[nH]1.
What is the InChIKey of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RSMKPJQHHQTTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-8-20-15(3-1)19-10-11(9-17-19)12-4-5-13-14(18-12)6-7-16-13/h4-7,9-10,15-16H,1-3,8H2.
What are the key properties of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine?
5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 268.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118676645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).