tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide

C61H86N10O8 — CID 158175308

IUPACtert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc2c1ccn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(OCCN2CCNCC2)cc2c1ccn2C(C)C
InChIInChI=1S/C33H47N5O5.C28H39N5O3/c1-8-9-24-18-23(4)35-31(40)28(24)21-34-30(39)27-19-25(20-29-26(27)10-11-38(29)22(2)3)42-17-16-36-12-14-37(15-13-36)32(41)43-33(5,6)7;1-5-6-21-15-20(4)31-28(35)25(21)18-30-27(34)24-16-22(36-14-13-32-11-8-29-9-12-32)17-26-23(24)7-10-33(26)19(2)3/h10-11,18-20,22H,8-9,12-17,21H2,1-7H3,(H,34,39)(H,35,40);7,10,15-17,19,29H,5-6,8-9,11-14,18H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyFXXVIMBHFLTQNN-UHFFFAOYSA-N
MW1087.42 g/mol
LogP8.42
Rot. Bonds20

About tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide

tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide (PubChem CID 158175308) has the molecular formula C61H86N10O8 and a molecular weight of 1087.42 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide
PubChem CID158175308
Molecular FormulaC61H86N10O8
Molecular Weight1087.42 g/mol
Exact Mass1086.66
IUPAC Nametert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc2c1ccn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(OCCN2CCNCC2)cc2c1ccn2C(C)C
InChIInChI=1S/C33H47N5O5.C28H39N5O3/c1-8-9-24-18-23(4)35-31(40)28(24)21-34-30(39)27-19-25(20-29-26(27)10-11-38(29)22(2)3)42-17-16-36-12-14-37(15-13-36)32(41)43-33(5,6)7;1-5-6-21-15-20(4)31-28(35)25(21)18-30-27(34)24-16-22(36-14-13-32-11-8-29-9-12-32)17-26-23(24)7-10-33(26)19(2)3/h10-11,18-20,22H,8-9,12-17,21H2,1-7H3,(H,34,39)(H,35,40);7,10,15-17,19,29H,5-6,8-9,11-14,18H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyFXXVIMBHFLTQNN-UHFFFAOYSA-N
XLogP8.42
TPSA200.29 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.42
LogP ≤ 58.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 122448431
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
CID 67468458
7-hydroxy-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 122448360
6-bromo-N-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 67467622
tert-butyl 4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 86272458
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-methylpyrimidin-5-yl)-1-propan-2-ylindazole-4-carboxamide
CID 54596692
6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 121322634
tert-butyl (2R,6R)-4-[N-ethyl-5-fluoro-2-methyl-3-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]anilino]-2,6-dimethylpiperidine-1-carboxylate
CID 118424502
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 158656343
6-bromo-N-[(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 54670264
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 86278384
6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 118302008

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide (CID 158175308) is tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc2c1ccn2C(C)C.CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(OCCN2CCNCC2)cc2c1ccn2C(C)C.
What is the InChIKey of tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide?
The InChIKey is FXXVIMBHFLTQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N5O5.C28H39N5O3/c1-8-9-24-18-23(4)35-31(40)28(24)21-34-30(39)27-19-25(20-29-26(27)10-11-38(29)22(2)3)42-17-16-36-12-14-37(15-13-36)32(41)43-33(5,6)7;1-5-6-21-15-20(4)31-28(35)25(21)18-30-27(34)24-16-22(36-14-13-32-11-8-29-9-12-32)17-26-23(24)7-10-33(26)19(2)3/h10-11,18-20,22H,8-9,12-17,21H2,1-7H3,(H,34,39)(H,35,40);7,10,15-17,19,29H,5-6,8-9,11-14,18H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide?
tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide has a molecular weight of 1087.42 g/mol, XLogP of 8.42, 20 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindol-6-yl]oxyethyl]piperazine-1-carboxylate;N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(2-piperazin-1-ylethoxy)-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 158175308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).