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

C19H27N5O — CID 119490883

IUPAC(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C19H27N5O/c1-12(2)24-18-16(10-21-24)15(9-17(22-18)13-6-7-13)19(25)23-8-4-5-14(11-23)20-3/h9-10,12-14,20H,4-8,11H2,1-3H3
InChIKeyYEBIRKWLQPFXAH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.71
Rot. Bonds4

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

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119490883) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119490883
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C19H27N5O/c1-12(2)24-18-16(10-21-24)15(9-17(22-18)13-6-7-13)19(25)23-8-4-5-14(11-23)20-3/h9-10,12-14,20H,4-8,11H2,1-3H3
InChIKeyYEBIRKWLQPFXAH-UHFFFAOYSA-N
XLogP2.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
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)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119490883) is (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C1.
What is the InChIKey of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is YEBIRKWLQPFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-12(2)24-18-16(10-21-24)15(9-17(22-18)13-6-7-13)19(25)23-8-4-5-14(11-23)20-3/h9-10,12-14,20H,4-8,11H2,1-3H3.
What are the key properties of (6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 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)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119490883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).