6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H26N4O3 — CID 9209227

IUPAC6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCc3ccc4c(c3)OCCO4)cc(C3CC3)nc21
InChIInChI=1S/C23H26N4O3/c1-14(2)27-22-18(13-25-27)17(12-19(26-22)16-4-5-16)23(28)24-8-7-15-3-6-20-21(11-15)30-10-9-29-20/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,24,28)
InChIKeySVSXWFHABASCBP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.63
Rot. Bonds6

About 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9209227) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9209227
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCc3ccc4c(c3)OCCO4)cc(C3CC3)nc21
InChIInChI=1S/C23H26N4O3/c1-14(2)27-22-18(13-25-27)17(12-19(26-22)16-4-5-16)23(28)24-8-7-15-3-6-20-21(11-15)30-10-9-29-20/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,24,28)
InChIKeySVSXWFHABASCBP-UHFFFAOYSA-N
XLogP3.63
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16594865
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 38569041
6-cyclopropyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60571985
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24661280
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24594526
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17466236
6-cyclopropyl-N-[2-(4-methylphenyl)sulfanylethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9392413
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9394148
N-[2-(diethylamino)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486032
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9209227) is 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCCc3ccc4c(c3)OCCO4)cc(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SVSXWFHABASCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)27-22-18(13-25-27)17(12-19(26-22)16-4-5-16)23(28)24-8-7-15-3-6-20-21(11-15)30-10-9-29-20/h3,6,11-14,16H,4-5,7-10H2,1-2H3,(H,24,28).
What are the key properties of 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9209227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).