1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine

C20H19N5O — CID 146944332

IUPAC1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine
SMILESC1=CC(c2nn(C3CCCCO3)c3cnc(-c4cccnc4)cc23)=NC1
InChIInChI=1S/C20H19N5O/c1-2-10-26-19(7-1)25-18-13-23-17(14-5-3-8-21-12-14)11-15(18)20(24-25)16-6-4-9-22-16/h3-6,8,11-13,19H,1-2,7,9-10H2
InChIKeyAHMQDCAAKLSNFA-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.55
Rot. Bonds3

About 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine

1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine (PubChem CID 146944332) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine
PubChem CID146944332
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine
SMILESC1=CC(c2nn(C3CCCCO3)c3cnc(-c4cccnc4)cc23)=NC1
InChIInChI=1S/C20H19N5O/c1-2-10-26-19(7-1)25-18-13-23-17(14-5-3-8-21-12-14)11-15(18)20(24-25)16-6-4-9-22-16/h3-6,8,11-13,19H,1-2,7,9-10H2
InChIKeyAHMQDCAAKLSNFA-UHFFFAOYSA-N
XLogP3.55
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopenta-1,2,4-trien-1-yl-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine
CID 89405242
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
CID 22479759
5-pyridin-3-yl-3-(2H-pyrrol-5-yl)-1H-pyrazolo[3,4-c]pyridine
CID 161100284
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
CID 172739208
5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 155482158
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
CID 170648947
3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 170649059
3-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548
5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
CID 166551429
5-[5-[3-(2-hydroxyethoxy)propoxy]-1-(oxan-2-yl)indazol-3-yl]pyridin-3-ol
CID 165127050
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137657

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine (CID 146944332) is 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine is C1=CC(c2nn(C3CCCCO3)c3cnc(-c4cccnc4)cc23)=NC1.
What is the InChIKey of 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is AHMQDCAAKLSNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-10-26-19(7-1)25-18-13-23-17(14-5-3-8-21-12-14)11-15(18)20(24-25)16-6-4-9-22-16/h3-6,8,11-13,19H,1-2,7,9-10H2.
What are the key properties of 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine?
1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 146944332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).