N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide

C22H26N6O3 — CID 118252758

IUPACN-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide
SMILESCN1CCN(CCn2ncc3cc(NC(=O)c4coc5c4C(=O)NCC5)ccc32)CC1
InChIInChI=1S/C22H26N6O3/c1-26-6-8-27(9-7-26)10-11-28-18-3-2-16(12-15(18)13-24-28)25-21(29)17-14-31-19-4-5-23-22(30)20(17)19/h2-3,12-14H,4-11H2,1H3,(H,23,30)(H,25,29)
InChIKeyHYVPWJDRLRVOIZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.41
Rot. Bonds5

About N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide

N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 118252758) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID118252758
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide
SMILESCN1CCN(CCn2ncc3cc(NC(=O)c4coc5c4C(=O)NCC5)ccc32)CC1
InChIInChI=1S/C22H26N6O3/c1-26-6-8-27(9-7-26)10-11-28-18-3-2-16(12-15(18)13-24-28)25-21(29)17-14-31-19-4-5-23-22(30)20(17)19/h2-3,12-14H,4-11H2,1H3,(H,23,30)(H,25,29)
InChIKeyHYVPWJDRLRVOIZ-UHFFFAOYSA-N
XLogP1.41
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide (CID 118252758) is N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide is CN1CCN(CCn2ncc3cc(NC(=O)c4coc5c4C(=O)NCC5)ccc32)CC1.
What is the InChIKey of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is HYVPWJDRLRVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-26-6-8-27(9-7-26)10-11-28-18-3-2-16(12-15(18)13-24-28)25-21(29)17-14-31-19-4-5-23-22(30)20(17)19/h2-3,12-14H,4-11H2,1H3,(H,23,30)(H,25,29).
What are the key properties of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide?
N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-5-yl]-4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).