1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C19H30N4O2 — CID 32982457

IUPAC1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C19H30N4O2/c1-12(2)17-10-15(19(24)20-8-7-9-25-14(5)6)16-11-21-23(13(3)4)18(16)22-17/h10-14H,7-9H2,1-6H3,(H,20,24)
InChIKeyKLFJGQZVRBZEJS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.68
Rot. Bonds8

About 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32982457) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32982457
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C19H30N4O2/c1-12(2)17-10-15(19(24)20-8-7-9-25-14(5)6)16-11-21-23(13(3)4)18(16)22-17/h10-14H,7-9H2,1-6H3,(H,20,24)
InChIKeyKLFJGQZVRBZEJS-UHFFFAOYSA-N
XLogP3.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.68
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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Related Compounds

N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
N-[2-(2-methoxyphenyl)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30446403
2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429159
N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55717877
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55745026
N-[(2-methoxy-3-pyridinyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38534502
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120890043

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 32982457) is 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)OCCCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.
What is the InChIKey of 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KLFJGQZVRBZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-12(2)17-10-15(19(24)20-8-7-9-25-14(5)6)16-11-21-23(13(3)4)18(16)22-17/h10-14H,7-9H2,1-6H3,(H,20,24).
What are the key properties of 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32982457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).