7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide

C21H34N6O2 — CID 21102079

IUPAC7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide
SMILESCC1(C(N)=O)CN(CCC(=O)N2CCC(N3CCCCC3)CC2)Cc2cn[nH]c21
InChIInChI=1S/C21H34N6O2/c1-21(20(22)29)15-25(14-16-13-23-24-19(16)21)10-7-18(28)27-11-5-17(6-12-27)26-8-3-2-4-9-26/h13,17H,2-12,14-15H2,1H3,(H2,22,29)(H,23,24)
InChIKeyCQKWFCQIHVINLW-UHFFFAOYSA-N
MW402.54 g/mol
LogP0.84
Rot. Bonds5

About 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide

7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide (PubChem CID 21102079) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide
PubChem CID21102079
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide
SMILESCC1(C(N)=O)CN(CCC(=O)N2CCC(N3CCCCC3)CC2)Cc2cn[nH]c21
InChIInChI=1S/C21H34N6O2/c1-21(20(22)29)15-25(14-16-13-23-24-19(16)21)10-7-18(28)27-11-5-17(6-12-27)26-8-3-2-4-9-26/h13,17H,2-12,14-15H2,1H3,(H2,22,29)(H,23,24)
InChIKeyCQKWFCQIHVINLW-UHFFFAOYSA-N
XLogP0.84
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide (CID 21102079) is 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide is CC1(C(N)=O)CN(CCC(=O)N2CCC(N3CCCCC3)CC2)Cc2cn[nH]c21.
What is the InChIKey of 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide?
The InChIKey is CQKWFCQIHVINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-21(20(22)29)15-25(14-16-13-23-24-19(16)21)10-7-18(28)27-11-5-17(6-12-27)26-8-3-2-4-9-26/h13,17H,2-12,14-15H2,1H3,(H2,22,29)(H,23,24).
What are the key properties of 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide?
7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 21102079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).