N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C18H26N4O3 — CID 136924450

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)CC(O)C3CC3)c(C)c12
InChIInChI=1S/C18H26N4O3/c1-10-13(18(25)19-17-16(10)11(2)20-22(17)4)7-8-15(24)21(3)9-14(23)12-5-6-12/h12,14,23H,5-9H2,1-4H3,(H,19,25)
InChIKeyZBENGCBFESURAR-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.04
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 136924450) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID136924450
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)CC(O)C3CC3)c(C)c12
InChIInChI=1S/C18H26N4O3/c1-10-13(18(25)19-17-16(10)11(2)20-22(17)4)7-8-15(24)21(3)9-14(23)12-5-6-12/h12,14,23H,5-9H2,1-4H3,(H,19,25)
InChIKeyZBENGCBFESURAR-UHFFFAOYSA-N
XLogP1.04
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 136924450) is N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)CC(O)C3CC3)c(C)c12.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is ZBENGCBFESURAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-10-13(18(25)19-17-16(10)11(2)20-22(17)4)7-8-15(24)21(3)9-14(23)12-5-6-12/h12,14,23H,5-9H2,1-4H3,(H,19,25).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 136924450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).