tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine

C62H79N15O5 — CID 157084215

IUPACtert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine
SMILESC1CCNC1.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCCC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CCCC5)[nH]4)c3c2)c1C
InChIInChI=1S/C34H43N7O4.C24H27N7O.C4H9N/c1-6-39(33(43)45-34(3,4)5)21-24-18-35-19-26(22(24)2)23-12-13-28-25(17-23)30(38-41(28)29-11-7-10-16-44-29)31-36-20-27(37-31)32(42)40-14-8-9-15-40;1-3-25-11-17-12-26-13-19(15(17)2)16-6-7-20-18(10-16)22(30-29-20)23-27-14-21(28-23)24(32)31-8-4-5-9-31;1-2-4-5-3-1/h12-13,17-20,29H,6-11,14-16,21H2,1-5H3,(H,36,37);6-7,10,12-14,25H,3-5,8-9,11H2,1-2H3,(H,27,28)(H,29,30);5H,1-4H2
InChIKeyADXDFZDLNGOHNM-UHFFFAOYSA-N
MW1114.41 g/mol
LogP10.53
Rot. Bonds13

About tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine

tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine (PubChem CID 157084215) has the molecular formula C62H79N15O5 and a molecular weight of 1114.41 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine
PubChem CID157084215
Molecular FormulaC62H79N15O5
Molecular Weight1114.41 g/mol
Exact Mass1113.64
IUPAC Nametert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine
SMILESC1CCNC1.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCCC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CCCC5)[nH]4)c3c2)c1C
InChIInChI=1S/C34H43N7O4.C24H27N7O.C4H9N/c1-6-39(33(43)45-34(3,4)5)21-24-18-35-19-26(22(24)2)23-12-13-28-25(17-23)30(38-41(28)29-11-7-10-16-44-29)31-36-20-27(37-31)32(42)40-14-8-9-15-40;1-3-25-11-17-12-26-13-19(15(17)2)16-6-7-20-18(10-16)22(30-29-20)23-27-14-21(28-23)24(32)31-8-4-5-9-31;1-2-4-5-3-1/h12-13,17-20,29H,6-11,14-16,21H2,1-5H3,(H,36,37);6-7,10,12-14,25H,3-5,8-9,11H2,1-2H3,(H,27,28)(H,29,30);5H,1-4H2
InChIKeyADXDFZDLNGOHNM-UHFFFAOYSA-N
XLogP10.53
TPSA233.09 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001114.41
LogP ≤ 510.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine with MolForge

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Related Compounds

tert-butyl 1-(6-(1-(tetrahydro-2H-pyran-2-yl)-5-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-3-yl)pyrazin-2-yl)piperidin-4-ylcarbamate
CID 67959786
tert-butyl N-[6-[1-(oxan-2-yl)-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]indazol-3-yl]pyrazin-2-yl]-N-piperidin-4-ylcarbamate
CID 123811301
tert-butyl N-ethyl-N-[[5-[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate
CID 135992105
[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 135992108
tert-butyl N-[5-[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate
CID 135992134
tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]pyridin-3-yl]methyl]carbamate
CID 135992192
[4-(2,4-difluorophenyl)piperazin-1-yl]-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]methanone
CID 135992213
tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]pyridin-3-yl]methyl]carbamate
CID 135992238
tert-butyl N-ethyl-N-[[5-[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate
CID 135992264
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
CID 135992281
Ethyl-{4-methyl-5-[3-[5-methyl-4-(3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-1-(tetrahydro-pyran-2-yl)-1H-indazol-5-yl]-pyridin-3-ylmethyl}-carbamic acid tert-butyl ester
CID 135992283
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-imidazole-5-carboxamide
CID 135992340

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine?
The IUPAC name of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine (CID 157084215) is tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine.
What is the SMILES notation for tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine?
The canonical SMILES for tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine is C1CCNC1.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCCC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CCCC5)[nH]4)c3c2)c1C.
What is the InChIKey of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine?
The InChIKey is ADXDFZDLNGOHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O4.C24H27N7O.C4H9N/c1-6-39(33(43)45-34(3,4)5)21-24-18-35-19-26(22(24)2)23-12-13-28-25(17-23)30(38-41(28)29-11-7-10-16-44-29)31-36-20-27(37-31)32(42)40-14-8-9-15-40;1-3-25-11-17-12-26-13-19(15(17)2)16-6-7-20-18(10-16)22(30-29-20)23-27-14-21(28-23)24(32)31-8-4-5-9-31;1-2-4-5-3-1/h12-13,17-20,29H,6-11,14-16,21H2,1-5H3,(H,36,37);6-7,10,12-14,25H,3-5,8-9,11H2,1-2H3,(H,27,28)(H,29,30);5H,1-4H2.
What are the key properties of tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine?
tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine has a molecular weight of 1114.41 g/mol, XLogP of 10.53, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyrrolidine-1-carbonyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidine is sourced from PubChem (CID 157084215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).