N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide

C17H23N5O3 — CID 170858557

IUPACN-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC(N)C1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C17H23N5O3/c1-11(18)14-10-22(8-9-25-14)15(23)6-7-19-17(24)16-12-4-2-3-5-13(12)20-21-16/h2-5,11,14H,6-10,18H2,1H3,(H,19,24)(H,20,21)
InChIKeyRRGKHIYQQILFEJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.26
Rot. Bonds5

About N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide

N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 170858557) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID170858557
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESCC(N)C1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CCO1
InChIInChI=1S/C17H23N5O3/c1-11(18)14-10-22(8-9-25-14)15(23)6-7-19-17(24)16-12-4-2-3-5-13(12)20-21-16/h2-5,11,14H,6-10,18H2,1H3,(H,19,24)(H,20,21)
InChIKeyRRGKHIYQQILFEJ-UHFFFAOYSA-N
XLogP0.26
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 120814162
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
N-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119472161
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 99849466
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide (CID 170858557) is N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide is CC(N)C1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CCO1.
What is the InChIKey of N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is RRGKHIYQQILFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(18)14-10-22(8-9-25-14)15(23)6-7-19-17(24)16-12-4-2-3-5-13(12)20-21-16/h2-5,11,14H,6-10,18H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).