N-[(4-hydroxyphenyl)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

C29H33N9O2S — CID 59503576

IUPACN-[(4-hydroxyphenyl)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
SMILESCc1cn2c(-c3cnn(CC(=O)NCc4ccc(O)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C29H33N9O2S/c1-19-4-3-9-36(14-19)17-23-10-27(41-35-23)34-28-29-31-13-25(38(29)15-20(2)33-28)22-12-32-37(16-22)18-26(40)30-11-21-5-7-24(39)8-6-21/h5-8,10,12-13,15-16,19,39H,3-4,9,11,14,17-18H2,1-2H3,(H,30,40)(H,33,34)
InChIKeyTWDXAVSIXUJXMJ-UHFFFAOYSA-N
MW571.71 g/mol
LogP4.36
Rot. Bonds9

About N-[(4-hydroxyphenyl)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

N-[(4-hydroxyphenyl)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 (PubChem CID 59503576) has the molecular formula C29H33N9O2S and a molecular weight of 571.71 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)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.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)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
PubChem CID59503576
Molecular FormulaC29H33N9O2S
Molecular Weight571.71 g/mol
Exact Mass571.25
IUPAC NameN-[(4-hydroxyphenyl)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
SMILESCc1cn2c(-c3cnn(CC(=O)NCc4ccc(O)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C29H33N9O2S/c1-19-4-3-9-36(14-19)17-23-10-27(41-35-23)34-28-29-31-13-25(38(29)15-20(2)33-28)22-12-32-37(16-22)18-26(40)30-11-21-5-7-24(39)8-6-21/h5-8,10,12-13,15-16,19,39H,3-4,9,11,14,17-18H2,1-2H3,(H,30,40)(H,33,34)
InChIKeyTWDXAVSIXUJXMJ-UHFFFAOYSA-N
XLogP4.36
TPSA125.50 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.71
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[(4-hydroxyphenyl)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 with MolForge

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Related Compounds

CID 44177727
CID 44177727
CID 44177837
CID 44177837
CID 44177838
CID 44177838
CID 44177840
CID 44177840
CID 44177955
CID 44177955
CID 44177956
CID 44177956
CID 44178070
CID 44178070
CID 59503456
CID 59503456
CID 59503488
CID 59503488
CID 59503540
CID 59503540
CID 59503657
CID 59503657
CID 59503688
CID 59503688

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)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?
The IUPAC name of N-[(4-hydroxyphenyl)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 59503576) is N-[(4-hydroxyphenyl)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.
What is the SMILES notation for N-[(4-hydroxyphenyl)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?
The canonical SMILES for N-[(4-hydroxyphenyl)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 is Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(O)cc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.
What is the InChIKey of N-[(4-hydroxyphenyl)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?
The InChIKey is TWDXAVSIXUJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9O2S/c1-19-4-3-9-36(14-19)17-23-10-27(41-35-23)34-28-29-31-13-25(38(29)15-20(2)33-28)22-12-32-37(16-22)18-26(40)30-11-21-5-7-24(39)8-6-21/h5-8,10,12-13,15-16,19,39H,3-4,9,11,14,17-18H2,1-2H3,(H,30,40)(H,33,34).
What are the key properties of N-[(4-hydroxyphenyl)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?
N-[(4-hydroxyphenyl)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 has a molecular weight of 571.71 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)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 is sourced from PubChem (CID 59503576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).