N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide

C18H20N4O2S — CID 170858637

IUPACN-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide
SMILESCCC(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C18H20N4O2S/c1-2-13(15-8-5-11-25-15)20-16(23)9-10-19-18(24)17-12-6-3-4-7-14(12)21-22-17/h3-8,11,13H,2,9-10H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyKHQANRHJMLXBSB-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.01
Rot. Bonds7

About N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide

N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide (PubChem CID 170858637) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide
PubChem CID170858637
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide
SMILESCCC(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C18H20N4O2S/c1-2-13(15-8-5-11-25-15)20-16(23)9-10-19-18(24)17-12-6-3-4-7-14(12)21-22-17/h3-8,11,13H,2,9-10H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyKHQANRHJMLXBSB-UHFFFAOYSA-N
XLogP3.01
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858789
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
4-[3-(1H-indazole-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119357288
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-oxo-3-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]propyl]-1H-indazole-3-carboxamide
CID 99433492
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide (CID 170858637) is N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide is CCC(NC(=O)CCNC(=O)c1n[nH]c2ccccc12)c1cccs1.
What is the InChIKey of N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide?
The InChIKey is KHQANRHJMLXBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-13(15-8-5-11-25-15)20-16(23)9-10-19-18(24)17-12-6-3-4-7-14(12)21-22-17/h3-8,11,13H,2,9-10H2,1H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide?
N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1-thiophen-2-ylpropylamino)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).