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

C21H27N5O — CID 118676597

IUPAC5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESc1nn(C2CCCCO2)cc1-c1ccc2c(ccn2CC2CCNCC2)n1
InChIInChI=1S/C21H27N5O/c1-2-12-27-21(3-1)26-15-17(13-23-26)18-4-5-20-19(24-18)8-11-25(20)14-16-6-9-22-10-7-16/h4-5,8,11,13,15-16,21-22H,1-3,6-7,9-10,12,14H2
InChIKeyKYKIBVAKXCZILG-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.60
Rot. Bonds4

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

5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine (PubChem CID 118676597) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
PubChem CID118676597
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESc1nn(C2CCCCO2)cc1-c1ccc2c(ccn2CC2CCNCC2)n1
InChIInChI=1S/C21H27N5O/c1-2-12-27-21(3-1)26-15-17(13-23-26)18-4-5-20-19(24-18)8-11-25(20)14-16-6-9-22-10-7-16/h4-5,8,11,13,15-16,21-22H,1-3,6-7,9-10,12,14H2
InChIKeyKYKIBVAKXCZILG-UHFFFAOYSA-N
XLogP3.60
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(3S,5R)-5-methylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676759
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676683
1-[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118676619
5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 118676645
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methyl]indole
CID 118678040
1-[[(3S,5S)-5-methylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674379
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678071
5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
CID 171037251
N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide
CID 118354891
5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
CID 171037256
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674361
benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 118354912

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine (CID 118676597) is 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine is c1nn(C2CCCCO2)cc1-c1ccc2c(ccn2CC2CCNCC2)n1.
What is the InChIKey of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is KYKIBVAKXCZILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-2-12-27-21(3-1)26-15-17(13-23-26)18-4-5-20-19(24-18)8-11-25(20)14-16-6-9-22-10-7-16/h4-5,8,11,13,15-16,21-22H,1-3,6-7,9-10,12,14H2.
What are the key properties of 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine?
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 365.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118676597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).