(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

C20H21N5O — CID 155946152

IUPAC(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESCC(C)n1ncc2c(C(=O)N3Cc4cccnc4C3)cc(C3CC3)nc21
InChIInChI=1S/C20H21N5O/c1-12(2)25-19-16(9-22-25)15(8-17(23-19)13-5-6-13)20(26)24-10-14-4-3-7-21-18(14)11-24/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3
InChIKeyRBMVJUHHHWOXIB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.44
Rot. Bonds3

About (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (PubChem CID 155946152) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
PubChem CID155946152
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
SMILESCC(C)n1ncc2c(C(=O)N3Cc4cccnc4C3)cc(C3CC3)nc21
InChIInChI=1S/C20H21N5O/c1-12(2)25-19-16(9-22-25)15(8-17(23-19)13-5-6-13)20(26)24-10-14-4-3-7-21-18(14)11-24/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3
InChIKeyRBMVJUHHHWOXIB-UHFFFAOYSA-N
XLogP3.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone (CID 155946152) is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The canonical SMILES for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is CC(C)n1ncc2c(C(=O)N3Cc4cccnc4C3)cc(C3CC3)nc21.
What is the InChIKey of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
The InChIKey is RBMVJUHHHWOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12(2)25-19-16(9-22-25)15(8-17(23-19)13-5-6-13)20(26)24-10-14-4-3-7-21-18(14)11-24/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3.
What are the key properties of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone?
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 155946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).