4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

C22H24N6O2 — CID 15604566

IUPAC4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2cc(OCC3CCCNC3)ccc21
InChIInChI=1S/C22H24N6O2/c1-28-11-18(15-8-19(21(23)29)26-22-17(15)10-25-27-22)16-7-14(4-5-20(16)28)30-12-13-3-2-6-24-9-13/h4-5,7-8,10-11,13,24H,2-3,6,9,12H2,1H3,(H2,23,29)(H,25,26,27)
InChIKeyMXILQZGWHQHPOU-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.59
Rot. Bonds5

About 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 15604566) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID15604566
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2cc(OCC3CCCNC3)ccc21
InChIInChI=1S/C22H24N6O2/c1-28-11-18(15-8-19(21(23)29)26-22-17(15)10-25-27-22)16-7-14(4-5-20(16)28)30-12-13-3-2-6-24-9-13/h4-5,7-8,10-11,13,24H,2-3,6,9,12H2,1H3,(H2,23,29)(H,25,26,27)
InChIKeyMXILQZGWHQHPOU-UHFFFAOYSA-N
XLogP2.59
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 15604566) is 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is Cn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2cc(OCC3CCCNC3)ccc21.
What is the InChIKey of 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is MXILQZGWHQHPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-28-11-18(15-8-19(21(23)29)26-22-17(15)10-25-27-22)16-7-14(4-5-20(16)28)30-12-13-3-2-6-24-9-13/h4-5,7-8,10-11,13,24H,2-3,6,9,12H2,1H3,(H2,23,29)(H,25,26,27).
What are the key properties of 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(piperidin-3-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 15604566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).