N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide

C19H27N7O4 — CID 67528738

IUPACN-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NNC(=O)CN(C)C(C)=O)cnc21
InChIInChI=1S/C19H27N7O4/c1-4-26-18-14(10-21-26)17(22-13-5-7-30-8-6-13)15(9-20-18)19(29)24-23-16(28)11-25(3)12(2)27/h9-10,13H,4-8,11H2,1-3H3,(H,20,22)(H,23,28)(H,24,29)
InChIKeyCWZLYWXMONOBLT-UHFFFAOYSA-N
MW417.47 g/mol
LogP0.28
Rot. Bonds6

About N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide

N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide (PubChem CID 67528738) has the molecular formula C19H27N7O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide
PubChem CID67528738
Molecular FormulaC19H27N7O4
Molecular Weight417.47 g/mol
Exact Mass417.21
IUPAC NameN-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NNC(=O)CN(C)C(C)=O)cnc21
InChIInChI=1S/C19H27N7O4/c1-4-26-18-14(10-21-26)17(22-13-5-7-30-8-6-13)15(9-20-18)19(29)24-23-16(28)11-25(3)12(2)27/h9-10,13H,4-8,11H2,1-3H3,(H,20,22)(H,23,28)(H,24,29)
InChIKeyCWZLYWXMONOBLT-UHFFFAOYSA-N
XLogP0.28
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007590
2-[2-[4-(cyclopentylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethanesulfinic acid
CID 70343703
N-[[2-(dimethylamino)phenyl]methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69011655
1-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007530
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
1-ethyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007438
1-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69008589
N-[1-(4-chlorophenyl)ethyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 11430270
1-ethyl-N-[2-(1-methylimidazol-4-yl)ethyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 10023724
N-[4-(2-amino-2-oxoethyl)phenyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69009912
methyl 2-[4-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]piperidin-1-yl]acetate
CID 91166970
1-ethyl-N-[4-(methylsulfamoyl)phenyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69009965

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide?
The IUPAC name of N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide (CID 67528738) is N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide is CCn1ncc2c(NC3CCOCC3)c(C(=O)NNC(=O)CN(C)C(C)=O)cnc21.
What is the InChIKey of N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide?
The InChIKey is CWZLYWXMONOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O4/c1-4-26-18-14(10-21-26)17(22-13-5-7-30-8-6-13)15(9-20-18)19(29)24-23-16(28)11-25(3)12(2)27/h9-10,13H,4-8,11H2,1-3H3,(H,20,22)(H,23,28)(H,24,29).
What are the key properties of N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide?
N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide has a molecular weight of 417.47 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]hydrazinyl]-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 67528738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).