N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide

C20H20N4O2 — CID 95302082

IUPACN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1cccc2[nH]ncc12
InChIInChI=1S/C20H20N4O2/c25-19(15-7-4-8-17-16(15)12-21-24-17)23-18(20(26)22-14-9-10-14)11-13-5-2-1-3-6-13/h1-8,12,14,18H,9-11H2,(H,21,24)(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyIQMMSVCELUYVAN-GOSISDBHSA-N
MW348.41 g/mol
LogP2.18
Rot. Bonds6

About N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide

N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide (PubChem CID 95302082) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
PubChem CID95302082
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1cccc2[nH]ncc12
InChIInChI=1S/C20H20N4O2/c25-19(15-7-4-8-17-16(15)12-21-24-17)23-18(20(26)22-14-9-10-14)11-13-5-2-1-3-6-13/h1-8,12,14,18H,9-11H2,(H,21,24)(H,22,26)(H,23,25)/t18-/m1/s1
InChIKeyIQMMSVCELUYVAN-GOSISDBHSA-N
XLogP2.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
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CID 95286983
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95289681
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
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(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 166180453
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(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
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N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide (CID 95302082) is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1cccc2[nH]ncc12.
What is the InChIKey of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide?
The InChIKey is IQMMSVCELUYVAN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(15-7-4-8-17-16(15)12-21-24-17)23-18(20(26)22-14-9-10-14)11-13-5-2-1-3-6-13/h1-8,12,14,18H,9-11H2,(H,21,24)(H,22,26)(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide?
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 95302082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).