N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide

C24H25N5O2 — CID 68997510

IUPACN-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCN(CCO)c1ccc(/C=C/c2n[nH]c3ccccc23)c(NC(=O)c2cccn2C)c1
InChIInChI=1S/C24H25N5O2/c1-28(14-15-30)18-11-9-17(10-12-21-19-6-3-4-7-20(19)26-27-21)22(16-18)25-24(31)23-8-5-13-29(23)2/h3-13,16,30H,14-15H2,1-2H3,(H,25,31)(H,26,27)/b12-10+
InChIKeyMVYZZMNBDDKASN-ZRDIBKRKSA-N
MW415.50 g/mol
LogP3.75
Rot. Bonds7

About N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide

N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 68997510) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID68997510
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCN(CCO)c1ccc(/C=C/c2n[nH]c3ccccc23)c(NC(=O)c2cccn2C)c1
InChIInChI=1S/C24H25N5O2/c1-28(14-15-30)18-11-9-17(10-12-21-19-6-3-4-7-20(19)26-27-21)22(16-18)25-24(31)23-8-5-13-29(23)2/h3-13,16,30H,14-15H2,1-2H3,(H,25,31)(H,26,27)/b12-10+
InChIKeyMVYZZMNBDDKASN-ZRDIBKRKSA-N
XLogP3.75
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide (CID 68997510) is N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide is CN(CCO)c1ccc(/C=C/c2n[nH]c3ccccc23)c(NC(=O)c2cccn2C)c1.
What is the InChIKey of N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MVYZZMNBDDKASN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(14-15-30)18-11-9-17(10-12-21-19-6-3-4-7-20(19)26-27-21)22(16-18)25-24(31)23-8-5-13-29(23)2/h3-13,16,30H,14-15H2,1-2H3,(H,25,31)(H,26,27)/b12-10+.
What are the key properties of N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide?
N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-hydroxyethyl(methyl)amino]-2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 68997510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).