tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate

C24H29N5O5 — CID 175813309

IUPACtert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate
SMILES[2H]c1ncc(-c2ccc3c(C(=O)NC)n[nH]c3c2)c(OC)c1C(=O)N[C@H](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C24H29N5O5/c1-13(9-19(30)34-24(2,3)4)27-22(31)17-12-26-11-16(21(17)33-6)14-7-8-15-18(10-14)28-29-20(15)23(32)25-5/h7-8,10-13H,9H2,1-6H3,(H,25,32)(H,27,31)(H,28,29)/t13-/m1/s1/i12D
InChIKeyUBTSKSLZOJRYAQ-CGWGKUSHSA-N
MW468.53 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate

tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate (PubChem CID 175813309) has the molecular formula C24H29N5O5 and a molecular weight of 468.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate
PubChem CID175813309
Molecular FormulaC24H29N5O5
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Nametert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate
SMILES[2H]c1ncc(-c2ccc3c(C(=O)NC)n[nH]c3c2)c(OC)c1C(=O)N[C@H](C)CC(=O)OC(C)(C)C
InChIInChI=1S/C24H29N5O5/c1-13(9-19(30)34-24(2,3)4)27-22(31)17-12-26-11-16(21(17)33-6)14-7-8-15-18(10-14)28-29-20(15)23(32)25-5/h7-8,10-13H,9H2,1-6H3,(H,25,32)(H,27,31)(H,28,29)/t13-/m1/s1/i12D
InChIKeyUBTSKSLZOJRYAQ-CGWGKUSHSA-N
XLogP2.84
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
tert-butyl 3-[[2-(deuteriomethoxy)-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]-2,2-dimethylpropanoate
CID 166041477
tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate
CID 172553359
6-[2,6-dimethyl-5-[1-[2-(trifluoromethoxy)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041405
6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041487
N-methyl-6-[6-(trideuteriomethoxy)-5-[[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664699
3-[[5-[3-(deuteriomethylcarbamoyl)-1H-indazol-6-yl]-2-methoxypyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 175819792
6-[6-(deuteriomethoxy)-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]-3-pyridinyl]-N-(deuteriomethyl)-1H-indazole-3-carboxamide
CID 166041359
N-methyl-6-[5-(3-phenylbutylcarbamoyl)thiophen-2-yl]-1H-indazole-3-carboxamide
CID 166046733
6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041334
6-[6-(deuteriomethoxy)-5-[1-[5-fluoro-2-(trifluoromethyl)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-(deuteriomethyl)-1H-indazole-3-carboxamide
CID 166041434
N-(2-hydroxypropyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469569

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate?
The IUPAC name of tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate (CID 175813309) is tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate.
What is the SMILES notation for tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate?
The canonical SMILES for tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate is [2H]c1ncc(-c2ccc3c(C(=O)NC)n[nH]c3c2)c(OC)c1C(=O)N[C@H](C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate?
The InChIKey is UBTSKSLZOJRYAQ-CGWGKUSHSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-13(9-19(30)34-24(2,3)4)27-22(31)17-12-26-11-16(21(17)33-6)14-7-8-15-18(10-14)28-29-20(15)23(32)25-5/h7-8,10-13H,9H2,1-6H3,(H,25,32)(H,27,31)(H,28,29)/t13-/m1/s1/i12D.
What are the key properties of tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate?
tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate has a molecular weight of 468.53 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate is sourced from PubChem (CID 175813309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).