N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

C27H31N9O2S — CID 59503615

IUPACN-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C27H31N9O2S/c1-18-5-3-7-34(13-18)16-21-9-25(39-33-21)32-26-27-29-12-23(36(27)14-19(2)31-26)20-10-30-35(15-20)17-24(37)28-11-22-6-4-8-38-22/h4,6,8-10,12,14-15,18H,3,5,7,11,13,16-17H2,1-2H3,(H,28,37)(H,31,32)
InChIKeyWTSZLPJRFYTKQX-UHFFFAOYSA-N
MW545.67 g/mol
LogP4.24
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 59503615) has the molecular formula C27H31N9O2S and a molecular weight of 545.67 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
PubChem CID59503615
Molecular FormulaC27H31N9O2S
Molecular Weight545.67 g/mol
Exact Mass545.23
IUPAC NameN-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C27H31N9O2S/c1-18-5-3-7-34(13-18)16-21-9-25(39-33-21)32-26-27-29-12-23(36(27)14-19(2)31-26)20-10-30-35(15-20)17-24(37)28-11-22-6-4-8-38-22/h4,6,8-10,12,14-15,18H,3,5,7,11,13,16-17H2,1-2H3,(H,28,37)(H,31,32)
InChIKeyWTSZLPJRFYTKQX-UHFFFAOYSA-N
XLogP4.24
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.67
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide with MolForge

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Related Compounds

8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943869
N-[(3-methoxyphenyl)methyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44177840
N-[(4-methoxyphenyl)methyl]-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44177955
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(1-methylpyridin-1-ium-3-yl)urea iodide
CID 11497238
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea
CID 57395161
N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-1,2-thiazole-3-carboxamide
CID 154827190
N-(2-furylmethyl)-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 118720504
N-(2-furylmethyl)-6-[1-(2-morpholinoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118720507
N-[(Furan-2-YL)methyl]-1-[2-(thiophen-2-YL)pyrazolo[1,5-A]pyrazin-4-YL]piperidine-4-carboxamide
CID 50797437
(1-Ethyl-1H-pyrazol-5-YL){3-[2-(2-furyl)-3H-imidazo[4,5-B]pyridin-3-YL]-1-pyrrolidinyl}methanone
CID 53186878
3-{1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]pyrrolidin-3-yl}-2-(2-furyl)-3H-imidazo[4,5-b]pyridine
CID 53186879

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (CID 59503615) is N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is WTSZLPJRFYTKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O2S/c1-18-5-3-7-34(13-18)16-21-9-25(39-33-21)32-26-27-29-12-23(36(27)14-19(2)31-26)20-10-30-35(15-20)17-24(37)28-11-22-6-4-8-38-22/h4,6,8-10,12,14-15,18H,3,5,7,11,13,16-17H2,1-2H3,(H,28,37)(H,31,32).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 545.67 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 59503615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).