N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide

C26H29N7O — CID 166637167

IUPACN-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide
SMILESCC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4ccn[nH]4)c3)n(-c3ccccn3)n2)CC1
InChIInChI=1S/C26H29N7O/c1-18(2)32-14-10-19(11-15-32)23-17-25(33(31-23)24-8-3-4-12-27-24)29-26(34)21-7-5-6-20(16-21)22-9-13-28-30-22/h3-9,12-13,16-19H,10-11,14-15H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyKLAHVJUJQYVKPO-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.50
Rot. Bonds6

About N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide

N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 166637167) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide
PubChem CID166637167
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC NameN-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide
SMILESCC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4ccn[nH]4)c3)n(-c3ccccn3)n2)CC1
InChIInChI=1S/C26H29N7O/c1-18(2)32-14-10-19(11-15-32)23-17-25(33(31-23)24-8-3-4-12-27-24)29-26(34)21-7-5-6-20(16-21)22-9-13-28-30-22/h3-9,12-13,16-19H,10-11,14-15H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyKLAHVJUJQYVKPO-UHFFFAOYSA-N
XLogP4.50
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide (CID 166637167) is N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide is CC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4ccn[nH]4)c3)n(-c3ccccn3)n2)CC1.
What is the InChIKey of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is KLAHVJUJQYVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-18(2)32-14-10-19(11-15-32)23-17-25(33(31-23)24-8-3-4-12-27-24)29-26(34)21-7-5-6-20(16-21)22-9-13-28-30-22/h3-9,12-13,16-19H,10-11,14-15H2,1-2H3,(H,28,30)(H,29,34).
What are the key properties of N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide?
N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 455.57 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 166637167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).