N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide

C26H30N6O2 — CID 170599014

IUPACN-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCOc1cccc(C(CN2CCN(C)CC2)NC(=O)c2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C26H30N6O2/c1-31-9-11-32(12-10-31)17-24(18-5-3-6-20(13-18)34-2)30-26(33)22-8-4-7-21-23(16-27-25(21)22)19-14-28-29-15-19/h3-8,13-16,24,27H,9-12,17H2,1-2H3,(H,28,29)(H,30,33)
InChIKeyYWSNVWWYQIUKPK-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.29
Rot. Bonds7

About N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide

N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide (PubChem CID 170599014) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
PubChem CID170599014
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCOc1cccc(C(CN2CCN(C)CC2)NC(=O)c2cccc3c(-c4cn[nH]c4)c[nH]c23)c1
InChIInChI=1S/C26H30N6O2/c1-31-9-11-32(12-10-31)17-24(18-5-3-6-20(13-18)34-2)30-26(33)22-8-4-7-21-23(16-27-25(21)22)19-14-28-29-15-19/h3-8,13-16,24,27H,9-12,17H2,1-2H3,(H,28,29)(H,30,33)
InChIKeyYWSNVWWYQIUKPK-UHFFFAOYSA-N
XLogP3.29
TPSA89.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
CID 175994843
(2S)-2-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994897
(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 178185458
3-methoxy-N-[1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85470505
N-[(1S)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077936
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077935
N-[(3-methoxyphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57402103
2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994873
N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 86711054
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395101
N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide
CID 66685314

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide (CID 170599014) is N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide is COc1cccc(C(CN2CCN(C)CC2)NC(=O)c2cccc3c(-c4cn[nH]c4)c[nH]c23)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide?
The InChIKey is YWSNVWWYQIUKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-31-9-11-32(12-10-31)17-24(18-5-3-6-20(13-18)34-2)30-26(33)22-8-4-7-21-23(16-27-25(21)22)19-14-28-29-15-19/h3-8,13-16,24,27H,9-12,17H2,1-2H3,(H,28,29)(H,30,33).
What are the key properties of N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide?
N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 170599014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).