N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide

C24H27N9O — CID 117076171

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide
SMILESCN1CCC(CNC(=O)c2cccc(-n3cc(Nc4nnnn4-c4ccccc4)cn3)c2)CC1
InChIInChI=1S/C24H27N9O/c1-31-12-10-18(11-13-31)15-25-23(34)19-6-5-9-22(14-19)32-17-20(16-26-32)27-24-28-29-30-33(24)21-7-3-2-4-8-21/h2-9,14,16-18H,10-13,15H2,1H3,(H,25,34)(H,27,28,30)
InChIKeyGGDNTZYEEOUWAY-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.66
Rot. Bonds7

About N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide

N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide (PubChem CID 117076171) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide
PubChem CID117076171
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide
SMILESCN1CCC(CNC(=O)c2cccc(-n3cc(Nc4nnnn4-c4ccccc4)cn3)c2)CC1
InChIInChI=1S/C24H27N9O/c1-31-12-10-18(11-13-31)15-25-23(34)19-6-5-9-22(14-19)32-17-20(16-26-32)27-24-28-29-30-33(24)21-7-3-2-4-8-21/h2-9,14,16-18H,10-13,15H2,1H3,(H,25,34)(H,27,28,30)
InChIKeyGGDNTZYEEOUWAY-UHFFFAOYSA-N
XLogP2.66
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide (CID 117076171) is N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide is CN1CCC(CNC(=O)c2cccc(-n3cc(Nc4nnnn4-c4ccccc4)cn3)c2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide?
The InChIKey is GGDNTZYEEOUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O/c1-31-12-10-18(11-13-31)15-25-23(34)19-6-5-9-22(14-19)32-17-20(16-26-32)27-24-28-29-30-33(24)21-7-3-2-4-8-21/h2-9,14,16-18H,10-13,15H2,1H3,(H,25,34)(H,27,28,30).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide?
N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide has a molecular weight of 457.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-3-[4-[(1-phenyltetrazol-5-yl)amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 117076171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).