N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide

C18H23N5O3 — CID 99434343

IUPACN-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
SMILESCCC(=O)N1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N5O3/c1-2-15(24)22-9-11-23(12-10-22)16(25)7-8-19-18(26)17-13-5-3-4-6-14(13)20-21-17/h3-6H,2,7-12H2,1H3,(H,19,26)(H,20,21)
InChIKeyYOZXIEGMYUNKFA-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.76
Rot. Bonds5

About N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide

N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide (PubChem CID 99434343) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
PubChem CID99434343
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
SMILESCCC(=O)N1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N5O3/c1-2-15(24)22-9-11-23(12-10-22)16(25)7-8-19-18(26)17-13-5-3-4-6-14(13)20-21-17/h3-6H,2,7-12H2,1H3,(H,19,26)(H,20,21)
InChIKeyYOZXIEGMYUNKFA-UHFFFAOYSA-N
XLogP0.76
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
4-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3H-phthalazine-1-carboxamide
CID 46598237
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119394197
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide (CID 99434343) is N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide is CCC(=O)N1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide?
The InChIKey is YOZXIEGMYUNKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-2-15(24)22-9-11-23(12-10-22)16(25)7-8-19-18(26)17-13-5-3-4-6-14(13)20-21-17/h3-6H,2,7-12H2,1H3,(H,19,26)(H,20,21).
What are the key properties of N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide?
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99434343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).