N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide

C17H20N4O2 — CID 97198905

IUPACN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
SMILESCOC[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1ccnn1C
InChIInChI=1S/C17H20N4O2/c1-20-9-7-12-4-5-13(10-16(12)20)17(22)19-14(11-23-3)15-6-8-18-21(15)2/h4-10,14H,11H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyKVMPJARYDOVHGC-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.03
Rot. Bonds5

About N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide (PubChem CID 97198905) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
PubChem CID97198905
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
SMILESCOC[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1ccnn1C
InChIInChI=1S/C17H20N4O2/c1-20-9-7-12-4-5-13(10-16(12)20)17(22)19-14(11-23-3)15-6-8-18-21(15)2/h4-10,14H,11H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyKVMPJARYDOVHGC-AWEZNQCLSA-N
XLogP2.03
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 95193065
4-methyl-2-[(1-methylindole-6-carbonyl)amino]pentanoic acid
CID 110210359
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 126435015
2-[(1-methylindole-6-carbonyl)amino]-2-phenylacetic acid
CID 72889894
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91760742
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide (CID 97198905) is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide is COC[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1ccnn1C.
What is the InChIKey of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide?
The InChIKey is KVMPJARYDOVHGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-9-7-12-4-5-13(10-16(12)20)17(22)19-14(11-23-3)15-6-8-18-21(15)2/h4-10,14H,11H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide?
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 97198905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).