(3-fluoro-4-pyridinyl)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

C28H31FN10O2S — CID 59503624

IUPAC(3-fluoro-4-pyridinyl)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)OCc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C28H31FN10O2S/c1-19-15-39-24(21-12-33-38(16-21)10-7-31-28(40)41-18-20-5-6-30-13-23(20)29)14-32-27(39)26(34-19)35-25-11-22(36-42-25)17-37-8-3-2-4-9-37/h5-6,11-16H,2-4,7-10,17-18H2,1H3,(H,31,40)(H,34,35)
InChIKeyFSJPXEQMYBOYJF-UHFFFAOYSA-N
MW590.69 g/mol
LogP4.55
Rot. Bonds10

About (3-fluoro-4-pyridinyl)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

(3-fluoro-4-pyridinyl)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 59503624) has the molecular formula C28H31FN10O2S and a molecular weight of 590.69 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)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(3-fluoro-4-pyridinyl)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 CID59503624
Molecular FormulaC28H31FN10O2S
Molecular Weight590.69 g/mol
Exact Mass590.23
IUPAC Name(3-fluoro-4-pyridinyl)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)OCc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C28H31FN10O2S/c1-19-15-39-24(21-12-33-38(16-21)10-7-31-28(40)41-18-20-5-6-30-13-23(20)29)14-32-27(39)26(34-19)35-25-11-22(36-42-25)17-37-8-3-2-4-9-37/h5-6,11-16H,2-4,7-10,17-18H2,1H3,(H,31,40)(H,34,35)
InChIKeyFSJPXEQMYBOYJF-UHFFFAOYSA-N
XLogP4.55
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (3-fluoro-4-pyridinyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)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 (3-fluoro-4-pyridinyl)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 59503624) is (3-fluoro-4-pyridinyl)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 (3-fluoro-4-pyridinyl)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 (3-fluoro-4-pyridinyl)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)OCc4ccncc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of (3-fluoro-4-pyridinyl)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 FSJPXEQMYBOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN10O2S/c1-19-15-39-24(21-12-33-38(16-21)10-7-31-28(40)41-18-20-5-6-30-13-23(20)29)14-32-27(39)26(34-19)35-25-11-22(36-42-25)17-37-8-3-2-4-9-37/h5-6,11-16H,2-4,7-10,17-18H2,1H3,(H,31,40)(H,34,35).
What are the key properties of (3-fluoro-4-pyridinyl)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?
(3-fluoro-4-pyridinyl)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 590.69 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)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 59503624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).