N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H27N3O3 — CID 125179947

IUPACN-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc2c(c1)[C@H](NC(=O)c1c3c(nn1C)CCCC3)CC(C)(C)O2
InChIInChI=1S/C21H27N3O3/c1-21(2)12-17(15-11-13(26-4)9-10-18(15)27-21)22-20(25)19-14-7-5-6-8-16(14)23-24(19)3/h9-11,17H,5-8,12H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyXOGTYDQFZNYBET-QGZVFWFLSA-N
MW369.47 g/mol
LogP3.34
Rot. Bonds3

About N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 125179947) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID125179947
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc2c(c1)[C@H](NC(=O)c1c3c(nn1C)CCCC3)CC(C)(C)O2
InChIInChI=1S/C21H27N3O3/c1-21(2)12-17(15-11-13(26-4)9-10-18(15)27-21)22-20(25)19-14-7-5-6-8-16(14)23-24(19)3/h9-11,17H,5-8,12H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyXOGTYDQFZNYBET-QGZVFWFLSA-N
XLogP3.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77097764
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95119735
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
5-ethyl-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125167898
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide
CID 131904157
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 157017063
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100610173
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 125179947) is N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1ccc2c(c1)[C@H](NC(=O)c1c3c(nn1C)CCCC3)CC(C)(C)O2.
What is the InChIKey of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is XOGTYDQFZNYBET-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-21(2)12-17(15-11-13(26-4)9-10-18(15)27-21)22-20(25)19-14-7-5-6-8-16(14)23-24(19)3/h9-11,17H,5-8,12H2,1-4H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 125179947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).