1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide

C19H26N6O3 — CID 89190843

IUPAC1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESC=C(C)C(=O)NNC(=O)c1c(C)nc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C19H26N6O3/c1-5-25-17-14(10-20-25)16(22-13-6-8-28-9-7-13)15(12(4)21-17)19(27)24-23-18(26)11(2)3/h10,13H,2,5-9H2,1,3-4H3,(H,21,22)(H,23,26)(H,24,27)
InChIKeyTUBGOEYCRJUNFK-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.69
Rot. Bonds5

About 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide

1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 89190843) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID89190843
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESC=C(C)C(=O)NNC(=O)c1c(C)nc2c(cnn2CC)c1NC1CCOCC1
InChIInChI=1S/C19H26N6O3/c1-5-25-17-14(10-20-25)16(22-13-6-8-28-9-7-13)15(12(4)21-17)19(27)24-23-18(26)11(2)3/h10,13H,2,5-9H2,1,3-4H3,(H,21,22)(H,23,26)(H,24,27)
InChIKeyTUBGOEYCRJUNFK-UHFFFAOYSA-N
XLogP1.69
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 89190843) is 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide is C=C(C)C(=O)NNC(=O)c1c(C)nc2c(cnn2CC)c1NC1CCOCC1.
What is the InChIKey of 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is TUBGOEYCRJUNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-5-25-17-14(10-20-25)16(22-13-6-8-28-9-7-13)15(12(4)21-17)19(27)24-23-18(26)11(2)3/h10,13H,2,5-9H2,1,3-4H3,(H,21,22)(H,23,26)(H,24,27).
What are the key properties of 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 386.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-N'-(2-methylprop-2-enoyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 89190843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).