5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C22H29N5O2 — CID 91914464

IUPAC5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(C(=O)N2CCc3[nH]nc(C(=O)NC4CCN(C)CC4)c3C2)cc1
InChIInChI=1S/C22H29N5O2/c1-3-15-4-6-16(7-5-15)22(29)27-13-10-19-18(14-27)20(25-24-19)21(28)23-17-8-11-26(2)12-9-17/h4-7,17H,3,8-14H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyUARKYKNAYXFQQT-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.99
Rot. Bonds4

About 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91914464) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91914464
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(C(=O)N2CCc3[nH]nc(C(=O)NC4CCN(C)CC4)c3C2)cc1
InChIInChI=1S/C22H29N5O2/c1-3-15-4-6-16(7-5-15)22(29)27-13-10-19-18(14-27)20(25-24-19)21(28)23-17-8-11-26(2)12-9-17/h4-7,17H,3,8-14H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyUARKYKNAYXFQQT-UHFFFAOYSA-N
XLogP1.99
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91914464) is 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCc1ccc(C(=O)N2CCc3[nH]nc(C(=O)NC4CCN(C)CC4)c3C2)cc1.
What is the InChIKey of 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UARKYKNAYXFQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-15-4-6-16(7-5-15)22(29)27-13-10-19-18(14-27)20(25-24-19)21(28)23-17-8-11-26(2)12-9-17/h4-7,17H,3,8-14H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylbenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).