2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide

C23H27N5O2 — CID 46226350

IUPAC2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCCC(C(=O)N(C)Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C23H27N5O2/c1-26-12-4-6-18(14-26)23(30)27(2)13-16-8-10-19(11-9-16)28-15-17-5-3-7-20(22(24)29)21(17)25-28/h3,5,7-11,15,18H,4,6,12-14H2,1-2H3,(H2,24,29)
InChIKeyMYEWDYUTQCYOKJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide

2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 46226350) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
PubChem CID46226350
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCCC(C(=O)N(C)Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C23H27N5O2/c1-26-12-4-6-18(14-26)23(30)27(2)13-16-8-10-19(11-9-16)28-15-17-5-3-7-20(22(24)29)21(17)25-28/h3,5,7-11,15,18H,4,6,12-14H2,1-2H3,(H2,24,29)
InChIKeyMYEWDYUTQCYOKJ-UHFFFAOYSA-N
XLogP2.42
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide (CID 46226350) is 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide is CN1CCCC(C(=O)N(C)Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.
What is the InChIKey of 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is MYEWDYUTQCYOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-26-12-4-6-18(14-26)23(30)27(2)13-16-8-10-19(11-9-16)28-15-17-5-3-7-20(22(24)29)21(17)25-28/h3,5,7-11,15,18H,4,6,12-14H2,1-2H3,(H2,24,29).
What are the key properties of 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).