ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate

C19H29N5O3 — CID 46432663

IUPACethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(C)nc2c1c(C)nn2C)CC(C)C
InChIInChI=1S/C19H29N5O3/c1-7-27-19(26)22-14(8-11(2)3)10-20-18(25)15-9-12(4)21-17-16(15)13(5)23-24(17)6/h9,11,14H,7-8,10H2,1-6H3,(H,20,25)(H,22,26)
InChIKeyIZTMUUWHCLBPGG-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.48
Rot. Bonds7

About ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate (PubChem CID 46432663) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate
PubChem CID46432663
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(C)nc2c1c(C)nn2C)CC(C)C
InChIInChI=1S/C19H29N5O3/c1-7-27-19(26)22-14(8-11(2)3)10-20-18(25)15-9-12(4)21-17-16(15)13(5)23-24(17)6/h9,11,14H,7-8,10H2,1-6H3,(H,20,25)(H,22,26)
InChIKeyIZTMUUWHCLBPGG-UHFFFAOYSA-N
XLogP2.48
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate with MolForge

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Related Compounds

ethyl N-[1-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55673579
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002
1,3,6-trimethyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95314902
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119223760
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
ethyl N-[1-[(2-chloro-4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959646

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate (CID 46432663) is ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1cc(C)nc2c1c(C)nn2C)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate?
The InChIKey is IZTMUUWHCLBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-7-27-19(26)22-14(8-11(2)3)10-20-18(25)15-9-12(4)21-17-16(15)13(5)23-24(17)6/h9,11,14H,7-8,10H2,1-6H3,(H,20,25)(H,22,26).
What are the key properties of ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 46432663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).