1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H30N6O2 — CID 52554963

IUPAC1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)CC1
InChIInChI=1S/C26H30N6O2/c1-19-7-12-31(13-8-19)11-4-10-28-26(33)22-15-24(20-5-2-9-27-16-20)30-25-23(22)17-29-32(25)18-21-6-3-14-34-21/h2-3,5-6,9,14-17,19H,4,7-8,10-13,18H2,1H3,(H,28,33)
InChIKeyBSLWNCWHHQQTJO-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.99
Rot. Bonds8

About 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52554963) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52554963
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)CC1
InChIInChI=1S/C26H30N6O2/c1-19-7-12-31(13-8-19)11-4-10-28-26(33)22-15-24(20-5-2-9-27-16-20)30-25-23(22)17-29-32(25)18-21-6-3-14-34-21/h2-3,5-6,9,14-17,19H,4,7-8,10-13,18H2,1H3,(H,28,33)
InChIKeyBSLWNCWHHQQTJO-UHFFFAOYSA-N
XLogP3.99
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 52554963) is 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1CCN(CCCNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BSLWNCWHHQQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-19-7-12-31(13-8-19)11-4-10-28-26(33)22-15-24(20-5-2-9-27-16-20)30-25-23(22)17-29-32(25)18-21-6-3-14-34-21/h2-3,5-6,9,14-17,19H,4,7-8,10-13,18H2,1H3,(H,28,33).
What are the key properties of 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52554963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).