(2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate

C29H31F2N9O2S — CID 59503494

IUPAC(2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate
SMILESCc1cn2c(-c3cnn(CCNC(=O)OCc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C29H31F2N9O2S/c1-19-15-40-24(14-33-28(40)27(35-19)36-25-12-22(37-43-25)17-38-9-3-2-4-10-38)21-13-34-39(16-21)11-8-32-29(41)42-18-20-6-5-7-23(30)26(20)31/h5-7,12-16H,2-4,8-11,17-18H2,1H3,(H,32,41)(H,35,36)
InChIKeyDFYRAEFPQZYKBH-UHFFFAOYSA-N
MW607.69 g/mol
LogP5.29
Rot. Bonds10

About (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate

(2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate (PubChem CID 59503494) has the molecular formula C29H31F2N9O2S and a molecular weight of 607.69 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate
PubChem CID59503494
Molecular FormulaC29H31F2N9O2S
Molecular Weight607.69 g/mol
Exact Mass607.23
IUPAC Name(2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate
SMILESCc1cn2c(-c3cnn(CCNC(=O)OCc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C29H31F2N9O2S/c1-19-15-40-24(14-33-28(40)27(35-19)36-25-12-22(37-43-25)17-38-9-3-2-4-10-38)21-13-34-39(16-21)11-8-32-29(41)42-18-20-6-5-7-23(30)26(20)31/h5-7,12-16H,2-4,8-11,17-18H2,1H3,(H,32,41)(H,35,36)
InChIKeyDFYRAEFPQZYKBH-UHFFFAOYSA-N
XLogP5.29
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500607.69
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

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]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 44177837
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]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 44177838
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
N-[[3-(dimethylamino)phenyl]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 44177956
N-[(2-fluorophenyl)methyl]-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 44178070
3-[(6-methoxy-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58282865
N-benzyl-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 59503456
N-[(3,5-difluorophenyl)methyl]-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503540
N-(3-fluorophenyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503547
N-benzyl-N-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 59503657
N-(4-fluorophenyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503686

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate (CID 59503494) is (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate is Cc1cn2c(-c3cnn(CCNC(=O)OCc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate?
The InChIKey is DFYRAEFPQZYKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N9O2S/c1-19-15-40-24(14-33-28(40)27(35-19)36-25-12-22(37-43-25)17-38-9-3-2-4-10-38)21-13-34-39(16-21)11-8-32-29(41)42-18-20-6-5-7-23(30)26(20)31/h5-7,12-16H,2-4,8-11,17-18H2,1H3,(H,32,41)(H,35,36).
What are the key properties of (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate?
(2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate has a molecular weight of 607.69 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl N-[2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 59503494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).