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

C27H26N6O3 — CID 42931632

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H26N6O3/c1-15(2)33-26-19(14-28-33)18(13-22(32-26)17-8-9-23-24(12-17)36-11-10-35-23)27(34)29-16(3)25-30-20-6-4-5-7-21(20)31-25/h4-9,12-16H,10-11H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyXZXPLESXSMWPSY-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.82
Rot. Bonds5

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42931632) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42931632
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C27H26N6O3/c1-15(2)33-26-19(14-28-33)18(13-22(32-26)17-8-9-23-24(12-17)36-11-10-35-23)27(34)29-16(3)25-30-20-6-4-5-7-21(20)31-25/h4-9,12-16H,10-11H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyXZXPLESXSMWPSY-UHFFFAOYSA-N
XLogP4.82
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 42931632) is N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XZXPLESXSMWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-15(2)33-26-19(14-28-33)18(13-22(32-26)17-8-9-23-24(12-17)36-11-10-35-23)27(34)29-16(3)25-30-20-6-4-5-7-21(20)31-25/h4-9,12-16H,10-11H2,1-3H3,(H,29,34)(H,30,31).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42931632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).