N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H28N4O2 — CID 23602950

IUPACN-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C
InChIInChI=1S/C22H28N4O2/c1-15-19(11-12-20(27)23-13-8-14-28-4)16(2)24-22-21(15)17(3)25-26(22)18-9-6-5-7-10-18/h5-7,9-10H,8,11-14H2,1-4H3,(H,23,27)
InChIKeySHDFUOWLUUWTLM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.43
Rot. Bonds8

About N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 23602950) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID23602950
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C
InChIInChI=1S/C22H28N4O2/c1-15-19(11-12-20(27)23-13-8-14-28-4)16(2)24-22-21(15)17(3)25-26(22)18-9-6-5-7-10-18/h5-7,9-10H,8,11-14H2,1-4H3,(H,23,27)
InChIKeySHDFUOWLUUWTLM-UHFFFAOYSA-N
XLogP3.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.43
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-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 23602950) is N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is COCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C.
What is the InChIKey of N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is SHDFUOWLUUWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-19(11-12-20(27)23-13-8-14-28-4)16(2)24-22-21(15)17(3)25-26(22)18-9-6-5-7-10-18/h5-7,9-10H,8,11-14H2,1-4H3,(H,23,27).
What are the key properties of N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 23602950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).