6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H22N6O2 — CID 44823109

IUPAC6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCn1nc(C)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C)c1C
InChIInChI=1S/C18H22N6O2/c1-10-16(11(2)24(22-10)9-26-4)21-18(25)13-7-15(12-5-6-12)20-17-14(13)8-19-23(17)3/h7-8,12H,5-6,9H2,1-4H3,(H,21,25)
InChIKeyAMUJAYATGHMYHY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.52
Rot. Bonds5

About 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44823109) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44823109
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCn1nc(C)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C)c1C
InChIInChI=1S/C18H22N6O2/c1-10-16(11(2)24(22-10)9-26-4)21-18(25)13-7-15(12-5-6-12)20-17-14(13)8-19-23(17)3/h7-8,12H,5-6,9H2,1-4H3,(H,21,25)
InChIKeyAMUJAYATGHMYHY-UHFFFAOYSA-N
XLogP2.52
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44823109) is 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COCn1nc(C)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C)c1C.
What is the InChIKey of 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AMUJAYATGHMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10-16(11(2)24(22-10)9-26-4)21-18(25)13-7-15(12-5-6-12)20-17-14(13)8-19-23(17)3/h7-8,12H,5-6,9H2,1-4H3,(H,21,25).
What are the key properties of 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).