N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

C25H34N4O2 — CID 23603532

IUPACN-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCCCOC(C)C)c(C)nc32)cc1
InChIInChI=1S/C25H34N4O2/c1-16(2)31-15-7-14-26-23(30)13-12-22-18(4)24-20(6)28-29(25(24)27-19(22)5)21-10-8-17(3)9-11-21/h8-11,16H,7,12-15H2,1-6H3,(H,26,30)
InChIKeyXQBGCCOJJYDFJJ-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.52
Rot. Bonds9

About N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 23603532) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID23603532
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCCCOC(C)C)c(C)nc32)cc1
InChIInChI=1S/C25H34N4O2/c1-16(2)31-15-7-14-26-23(30)13-12-22-18(4)24-20(6)28-29(25(24)27-19(22)5)21-10-8-17(3)9-11-21/h8-11,16H,7,12-15H2,1-6H3,(H,26,30)
InChIKeyXQBGCCOJJYDFJJ-UHFFFAOYSA-N
XLogP4.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 23603532) is N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCCCOC(C)C)c(C)nc32)cc1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is XQBGCCOJJYDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-16(2)31-15-7-14-26-23(30)13-12-22-18(4)24-20(6)28-29(25(24)27-19(22)5)21-10-8-17(3)9-11-21/h8-11,16H,7,12-15H2,1-6H3,(H,26,30).
What are the key properties of N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 422.57 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 23603532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).