N-(2-fluoro-3-pyridinyl)-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

C27H29FN10OS — CID 59503468

IUPACN-(2-fluoro-3-pyridinyl)-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)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C27H29FN10OS/c1-17-5-4-8-36(12-17)15-20-9-24(40-35-20)34-26-27-30-11-22(38(27)13-18(2)32-26)19-10-31-37(14-19)16-23(39)33-21-6-3-7-29-25(21)28/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,32,34)(H,33,39)
InChIKeyMKPGJKRDMWXJIV-UHFFFAOYSA-N
MW560.66 g/mol
LogP4.51
Rot. Bonds8

About N-(2-fluoro-3-pyridinyl)-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-(2-fluoro-3-pyridinyl)-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 59503468) has the molecular formula C27H29FN10OS and a molecular weight of 560.66 g/mol. Its IUPAC name is N-(2-fluoro-3-pyridinyl)-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-(2-fluoro-3-pyridinyl)-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 CID59503468
Molecular FormulaC27H29FN10OS
Molecular Weight560.66 g/mol
Exact Mass560.22
IUPAC NameN-(2-fluoro-3-pyridinyl)-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)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
InChIInChI=1S/C27H29FN10OS/c1-17-5-4-8-36(12-17)15-20-9-24(40-35-20)34-26-27-30-11-22(38(27)13-18(2)32-26)19-10-31-37(14-19)16-23(39)33-21-6-3-7-29-25(21)28/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,32,34)(H,33,39)
InChIKeyMKPGJKRDMWXJIV-UHFFFAOYSA-N
XLogP4.51
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-pyridinyl)-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-(2-fluoro-3-pyridinyl)-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 59503468) is N-(2-fluoro-3-pyridinyl)-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-(2-fluoro-3-pyridinyl)-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-(2-fluoro-3-pyridinyl)-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)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1.
What is the InChIKey of N-(2-fluoro-3-pyridinyl)-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 MKPGJKRDMWXJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN10OS/c1-17-5-4-8-36(12-17)15-20-9-24(40-35-20)34-26-27-30-11-22(38(27)13-18(2)32-26)19-10-31-37(14-19)16-23(39)33-21-6-3-7-29-25(21)28/h3,6-7,9-11,13-14,17H,4-5,8,12,15-16H2,1-2H3,(H,32,34)(H,33,39).
What are the key properties of N-(2-fluoro-3-pyridinyl)-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-(2-fluoro-3-pyridinyl)-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 560.66 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-pyridinyl)-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 59503468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).