(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide

C20H27N7O2 — CID 95880672

IUPAC(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide
SMILESCc1nc(C)n(C[C@@H](C)C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n1
InChIInChI=1S/C20H27N7O2/c1-13(12-27-15(3)21-14(2)23-27)20(28)22-19-18-16(25(4)24-19)6-5-7-17(18)26-8-10-29-11-9-26/h5-7,13H,8-12H2,1-4H3,(H,22,24,28)/t13-/m1/s1
InChIKeySWIKWOJUSJIDFR-CYBMUJFWSA-N
MW397.48 g/mol
LogP1.89
Rot. Bonds5

About (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide

(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide (PubChem CID 95880672) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide
PubChem CID95880672
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide
SMILESCc1nc(C)n(C[C@@H](C)C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n1
InChIInChI=1S/C20H27N7O2/c1-13(12-27-15(3)21-14(2)23-27)20(28)22-19-18-16(25(4)24-19)6-5-7-17(18)26-8-10-29-11-9-26/h5-7,13H,8-12H2,1-4H3,(H,22,24,28)/t13-/m1/s1
InChIKeySWIKWOJUSJIDFR-CYBMUJFWSA-N
XLogP1.89
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide
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1-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-3-propylpyrazole-5-carboxamide
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(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 42588525
(2R)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 40793214
(2S)-N-(3,5-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
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1-[1-(4-methoxyphenyl)-4-morpholin-4-ylindazol-3-yl]-3-propylurea
CID 70773787
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
(2R)-N-[4-morpholin-4-yl-1-(2,2,2-trifluoroethyl)indazol-3-yl]oxolane-2-carboxamide
CID 70708257
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide?
The IUPAC name of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide (CID 95880672) is (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide.
What is the SMILES notation for (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide?
The canonical SMILES for (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide is Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)n1.
What is the InChIKey of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide?
The InChIKey is SWIKWOJUSJIDFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-13(12-27-15(3)21-14(2)23-27)20(28)22-19-18-16(25(4)24-19)6-5-7-17(18)26-8-10-29-11-9-26/h5-7,13H,8-12H2,1-4H3,(H,22,24,28)/t13-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide?
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(1-methyl-4-morpholin-4-ylindazol-3-yl)propanamide is sourced from PubChem (CID 95880672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).