[5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C34H35N13OS3 — CID 91033766

IUPAC[5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
SMILESCc1cn2c(-c3csc(CCN(Cc4cc(Nc5nc(C)cn6c(-c7cn[nH]c7)cnc56)sn4)C(C)C)c3)cnc2c(Nc2cc(CO)ns2)n1
InChIInChI=1S/C34H35N13OS3/c1-19(2)45(16-24-8-29(50-43-24)41-32-34-36-13-28(23-10-37-38-11-23)47(34)15-21(4)40-32)6-5-26-7-22(18-49-26)27-12-35-33-31(39-20(3)14-46(27)33)42-30-9-25(17-48)44-51-30/h7-15,18-19,48H,5-6,16-17H2,1-4H3,(H,37,38)(H,39,42)(H,40,41)
InChIKeyALKSNLLGNBSDRY-UHFFFAOYSA-N
MW737.95 g/mol
LogP6.85
Rot. Bonds13

About [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

[5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 91033766) has the molecular formula C34H35N13OS3 and a molecular weight of 737.95 g/mol. Its IUPAC name is [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
PubChem CID91033766
Molecular FormulaC34H35N13OS3
Molecular Weight737.95 g/mol
Exact Mass737.22
IUPAC Name[5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
SMILESCc1cn2c(-c3csc(CCN(Cc4cc(Nc5nc(C)cn6c(-c7cn[nH]c7)cnc56)sn4)C(C)C)c3)cnc2c(Nc2cc(CO)ns2)n1
InChIInChI=1S/C34H35N13OS3/c1-19(2)45(16-24-8-29(50-43-24)41-32-34-36-13-28(23-10-37-38-11-23)47(34)15-21(4)40-32)6-5-26-7-22(18-49-26)27-12-35-33-31(39-20(3)14-46(27)33)42-30-9-25(17-48)44-51-30/h7-15,18-19,48H,5-6,16-17H2,1-4H3,(H,37,38)(H,39,42)(H,40,41)
InChIKeyALKSNLLGNBSDRY-UHFFFAOYSA-N
XLogP6.85
TPSA162.37 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 56.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol with MolForge

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Related Compounds

[6-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]-2-pyridinyl]methanol
CID 145968638
[4-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137042519
[4-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137110896
[4-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-methylpyrazol-3-yl]methanol
CID 137312230
[5-[[3-[1-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
CID 143755973
N-(3,4-difluorophenyl)-2-[4-[8-[[3-(hydroxymethyl)-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N'-methylethanimidamide
CID 143866281
[5-[(6-Methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol
CID 25145001
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-pyrrolidin-1-ylethyl)-1,2-thiazol-5-amine
CID 71044850
N-[4-(methoxymethyl)-5-(piperidin-1-ylmethyl)thiophen-2-yl]-6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 71044877
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(2-phenylsulfanyl-1-piperidin-1-ylethyl)-1,2-thiazol-5-amine
CID 71044905
[1-methyl-4-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
CID 137042011
[1-methyl-4-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
CID 137042057

Frequently Asked Questions

What is the IUPAC name of [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
The IUPAC name of [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 91033766) is [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.
What is the SMILES notation for [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
The canonical SMILES for [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is Cc1cn2c(-c3csc(CCN(Cc4cc(Nc5nc(C)cn6c(-c7cn[nH]c7)cnc56)sn4)C(C)C)c3)cnc2c(Nc2cc(CO)ns2)n1.
What is the InChIKey of [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
The InChIKey is ALKSNLLGNBSDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N13OS3/c1-19(2)45(16-24-8-29(50-43-24)41-32-34-36-13-28(23-10-37-38-11-23)47(34)15-21(4)40-32)6-5-26-7-22(18-49-26)27-12-35-33-31(39-20(3)14-46(27)33)42-30-9-25(17-48)44-51-30/h7-15,18-19,48H,5-6,16-17H2,1-4H3,(H,37,38)(H,39,42)(H,40,41).
What are the key properties of [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?
[5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 737.95 g/mol, XLogP of 6.85, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-methyl-3-[5-[2-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl-propan-2-ylamino]ethyl]thiophen-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 91033766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).