3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C25H31N7O — CID 175918801

IUPAC3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(-c3ccc(-c4cn[nH]c4)nc3C(N)=O)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C25H31N7O/c1-30-11-13-31(14-12-30)19-5-6-20(23(15-19)32-9-3-2-4-10-32)21-7-8-22(18-16-27-28-17-18)29-24(21)25(26)33/h5-8,15-17H,2-4,9-14H2,1H3,(H2,26,33)(H,27,28)
InChIKeyWVYFPOFYSYIILL-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.98
Rot. Bonds5

About 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 175918801) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID175918801
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(-c3ccc(-c4cn[nH]c4)nc3C(N)=O)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C25H31N7O/c1-30-11-13-31(14-12-30)19-5-6-20(23(15-19)32-9-3-2-4-10-32)21-7-8-22(18-16-27-28-17-18)29-24(21)25(26)33/h5-8,15-17H,2-4,9-14H2,1H3,(H2,26,33)(H,27,28)
InChIKeyWVYFPOFYSYIILL-UHFFFAOYSA-N
XLogP2.98
TPSA94.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 175918801) is 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CN1CCN(c2ccc(-c3ccc(-c4cn[nH]c4)nc3C(N)=O)c(N3CCCCC3)c2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is WVYFPOFYSYIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-30-11-13-31(14-12-30)19-5-6-20(23(15-19)32-9-3-2-4-10-32)21-7-8-22(18-16-27-28-17-18)29-24(21)25(26)33/h5-8,15-17H,2-4,9-14H2,1H3,(H2,26,33)(H,27,28).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175918801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).