methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate

C54H72N10O10 — CID 161144029

IUPACmethane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate
SMILESC.C.CC(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N(C)CC(N)=O)n12.CC(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12
InChIInChI=1S/C27H33N5O5.C25H31N5O5.2CH4/c1-18(2)26(34)30-22(17-36-15-19-8-4-3-5-9-19)25-29-14-20-10-6-11-21(32(20)25)16-37-27(35)31-13-7-12-23(31)24(28)33;1-17(2)24(32)28-21(16-34-14-18-8-5-4-6-9-18)23-27-12-19-10-7-11-20(30(19)23)15-35-25(33)29(3)13-22(26)31;;/h3-6,8-11,14,18,22-23H,7,12-13,15-17H2,1-2H3,(H2,28,33)(H,30,34);4-12,17,21H,13-16H2,1-3H3,(H2,26,31)(H,28,32);2*1H4/t22-,23-;21-;;/m11../s1
InChIKeyUNUVIGZAKNJWMU-BCAQQENXSA-N
MW1021.23 g/mol
LogP6.64
Rot. Bonds21

About methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate

methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate (PubChem CID 161144029) has the molecular formula C54H72N10O10 and a molecular weight of 1021.23 g/mol. Its IUPAC name is methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate
PubChem CID161144029
Molecular FormulaC54H72N10O10
Molecular Weight1021.23 g/mol
Exact Mass1020.54
IUPAC Namemethane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate
SMILESC.C.CC(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N(C)CC(N)=O)n12.CC(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12
InChIInChI=1S/C27H33N5O5.C25H31N5O5.2CH4/c1-18(2)26(34)30-22(17-36-15-19-8-4-3-5-9-19)25-29-14-20-10-6-11-21(32(20)25)16-37-27(35)31-13-7-12-23(31)24(28)33;1-17(2)24(32)28-21(16-34-14-18-8-5-4-6-9-18)23-27-12-19-10-7-11-20(30(19)23)15-35-25(33)29(3)13-22(26)31;;/h3-6,8-11,14,18,22-23H,7,12-13,15-17H2,1-2H3,(H2,28,33)(H,30,34);4-12,17,21H,13-16H2,1-3H3,(H2,26,31)(H,28,32);2*1H4/t22-,23-;21-;;/m11../s1
InChIKeyUNUVIGZAKNJWMU-BCAQQENXSA-N
XLogP6.64
TPSA256.52 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.23
LogP ≤ 56.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5,6-trimethylpyrazin-2-yl)methyl 3-[[1-methyl-2-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630365
Cbz-His-Phe-Ser(Bn)-Trp-D-Ala-NH2
CID 10748195
Cbz-His-D-Phe-Ser(Bn)-Trp-D-Ala-NH2
CID 10748196
[(R)-1-((R)-1-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-3-phenyl-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
CID 44302955
[(R)-1-(1-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-3-carbamoyl-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
CID 44303010
[(R)-1-(1-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-2-cyclohexyl-ethylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
CID 44303417
[(R)-1-(1-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
CID 73351841
[(R)-1-(5-Amino-1-{(R)-2-benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-pentylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
CID 44303044
1H-Imidazo(1,2-a)pyridin-4-ium, 1,1'-hexamethylenebis(3-(hydroxymethyl)-2-phenyl-, diperchlorate, diacetate (ester)
CID 13320773
benzyl (2S)-2-[[2-[cyclopropyl-[9-(oxan-2-yl)purin-6-yl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 46227862
benzyl (2S)-2-[[2-[cyclopropyl-[9-(oxan-2-yl)purin-6-yl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 46227872
benzyl (2S)-2-[[2-[[2-chloro-9-(oxan-2-yl)purin-6-yl]-cyclopropylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 52946250

Frequently Asked Questions

What is the IUPAC name of methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate?
The IUPAC name of methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate (CID 161144029) is methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate.
What is the SMILES notation for methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate?
The canonical SMILES for methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate is C.C.CC(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N(C)CC(N)=O)n12.CC(C)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)N3CCC[C@@H]3C(N)=O)n12.
What is the InChIKey of methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate?
The InChIKey is UNUVIGZAKNJWMU-BCAQQENXSA-N. The full InChI is InChI=1S/C27H33N5O5.C25H31N5O5.2CH4/c1-18(2)26(34)30-22(17-36-15-19-8-4-3-5-9-19)25-29-14-20-10-6-11-21(32(20)25)16-37-27(35)31-13-7-12-23(31)24(28)33;1-17(2)24(32)28-21(16-34-14-18-8-5-4-6-9-18)23-27-12-19-10-7-11-20(30(19)23)15-35-25(33)29(3)13-22(26)31;;/h3-6,8-11,14,18,22-23H,7,12-13,15-17H2,1-2H3,(H2,28,33)(H,30,34);4-12,17,21H,13-16H2,1-3H3,(H2,26,31)(H,28,32);2*1H4/t22-,23-;21-;;/m11../s1.
What are the key properties of methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate?
methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate has a molecular weight of 1021.23 g/mol, XLogP of 6.64, 21 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;[3-[(1S)-1-(2-methylpropanoylamino)-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (2R)-2-carbamoylpyrrolidine-1-carboxylate is sourced from PubChem (CID 161144029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).