3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide

C24H27N7O — CID 175994843

IUPAC3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
SMILESCN1CCN(CC(C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c2cccnc2)CC1
InChIInChI=1S/C24H27N7O/c1-30-8-10-31(11-9-30)16-21(17-4-3-7-25-12-17)24(32)29-22-6-2-5-19-20(15-26-23(19)22)18-13-27-28-14-18/h2-7,12-15,21,26H,8-11,16H2,1H3,(H,27,28)(H,29,32)
InChIKeyWVDBUXUSUXPYQY-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.92
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide

3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide (PubChem CID 175994843) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
PubChem CID175994843
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide
SMILESCN1CCN(CC(C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c2cccnc2)CC1
InChIInChI=1S/C24H27N7O/c1-30-8-10-31(11-9-30)16-21(17-4-3-7-25-12-17)24(32)29-22-6-2-5-19-20(15-26-23(19)22)18-13-27-28-14-18/h2-7,12-15,21,26H,8-11,16H2,1H3,(H,27,28)(H,29,32)
InChIKeyWVDBUXUSUXPYQY-UHFFFAOYSA-N
XLogP2.92
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994873
(2R)-3-amino-2-(3-methoxyphenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 178185458
N-[1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)-1H-indole-7-carboxamide
CID 170599014
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994904
(2S)-2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 178185488
2-amino-2-(3-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]acetamide
CID 175994895
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
ethane;N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 145279625
[(2S)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indol-7-yl]amino]-3-oxo-2-phenylpropyl] carbamate
CID 170358934
N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 170144820
N-[3-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 170222767

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide (CID 175994843) is 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide is CN1CCN(CC(C(=O)Nc2cccc3c(-c4cn[nH]c4)c[nH]c23)c2cccnc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide?
The InChIKey is WVDBUXUSUXPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30-8-10-31(11-9-30)16-21(17-4-3-7-25-12-17)24(32)29-22-6-2-5-19-20(15-26-23(19)22)18-13-27-28-14-18/h2-7,12-15,21,26H,8-11,16H2,1H3,(H,27,28)(H,29,32).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide?
3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide has a molecular weight of 429.53 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]-2-pyridin-3-ylpropanamide is sourced from PubChem (CID 175994843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).