tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate

C24H31N7O4 — CID 172551782

IUPACtert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate
SMILESCCOc1nc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncc1C(=O)Nc1ccc2nn(C)cc2c1
InChIInChI=1S/C24H31N7O4/c1-7-34-21-18(20(32)26-16-8-9-19-15(10-16)12-29(5)28-19)11-25-22(27-21)31-13-17(14-31)30(6)23(33)35-24(2,3)4/h8-12,17H,7,13-14H2,1-6H3,(H,26,32)
InChIKeySVSRPBCZKNBPQS-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.07
Rot. Bonds6

About tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate (PubChem CID 172551782) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate
PubChem CID172551782
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Nametert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate
SMILESCCOc1nc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncc1C(=O)Nc1ccc2nn(C)cc2c1
InChIInChI=1S/C24H31N7O4/c1-7-34-21-18(20(32)26-16-8-9-19-15(10-16)12-29(5)28-19)11-25-22(27-21)31-13-17(14-31)30(6)23(33)35-24(2,3)4/h8-12,17H,7,13-14H2,1-6H3,(H,26,32)
InChIKeySVSRPBCZKNBPQS-UHFFFAOYSA-N
XLogP3.07
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate with MolForge

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Related Compounds

4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 168914380
tert-butyl (2S)-4-[4-ethoxy-5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 172551724
tert-butyl N-[1-[5-[(2-chloro-5-ethylbenzoyl)amino]-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 173074039
4-ethoxy-N-(7-methoxy-2-methylindazol-5-yl)-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide;4-methylbenzenesulfonic acid
CID 175897273
tert-butyl (2S)-2-(2,2-difluoroethyl)-4-[4-ethoxy-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 172551753
4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
CID 172551798
4-ethoxy-2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 172551748
tert-butyl N-[1-[5-[(4-butoxybenzoyl)amino]-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58867696
tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 168977584
tert-butyl N-[1-[3-bromo-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 123524511
tert-butyl N-[(3R)-1-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinoxalin-5-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 167500324
tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
CID 131741448

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate (CID 172551782) is tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate is CCOc1nc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncc1C(=O)Nc1ccc2nn(C)cc2c1.
What is the InChIKey of tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate?
The InChIKey is SVSRPBCZKNBPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-7-34-21-18(20(32)26-16-8-9-19-15(10-16)12-29(5)28-19)11-25-22(27-21)31-13-17(14-31)30(6)23(33)35-24(2,3)4/h8-12,17H,7,13-14H2,1-6H3,(H,26,32).
What are the key properties of tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate has a molecular weight of 481.56 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 172551782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).