2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide

C29H33FN10O2S — CID 59503879

IUPAC2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cnn(CC(=O)Nc5ccncc5F)c4)cnc23)sn1)C1(CO)CCCC1
InChIInChI=1S/C29H33FN10O2S/c1-3-38(29(18-41)7-4-5-8-29)16-21-10-26(43-37-21)36-27-28-32-13-24(40(28)14-19(2)34-27)20-11-33-39(15-20)17-25(42)35-23-6-9-31-12-22(23)30/h6,9-15,41H,3-5,7-8,16-18H2,1-2H3,(H,34,36)(H,31,35,42)
InChIKeyYDRDJQPPBBCDJN-UHFFFAOYSA-N
MW604.72 g/mol
LogP4.40
Rot. Bonds11

About 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide

2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide (PubChem CID 59503879) has the molecular formula C29H33FN10O2S and a molecular weight of 604.72 g/mol. Its IUPAC name is 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide
PubChem CID59503879
Molecular FormulaC29H33FN10O2S
Molecular Weight604.72 g/mol
Exact Mass604.25
IUPAC Name2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide
SMILESCCN(Cc1cc(Nc2nc(C)cn3c(-c4cnn(CC(=O)Nc5ccncc5F)c4)cnc23)sn1)C1(CO)CCCC1
InChIInChI=1S/C29H33FN10O2S/c1-3-38(29(18-41)7-4-5-8-29)16-21-10-26(43-37-21)36-27-28-32-13-24(40(28)14-19(2)34-27)20-11-33-39(15-20)17-25(42)35-23-6-9-31-12-22(23)30/h6,9-15,41H,3-5,7-8,16-18H2,1-2H3,(H,34,36)(H,31,35,42)
InChIKeyYDRDJQPPBBCDJN-UHFFFAOYSA-N
XLogP4.40
TPSA138.39 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.72
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide with MolForge

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Related Compounds

CID 135566615
CID 135566615
CID 44177727
CID 44177727
CID 44177837
CID 44177837
CID 44177838
CID 44177838
CID 44177956
CID 44177956
CID 44178067
CID 44178067
CID 44178068
CID 44178068
CID 44178069
CID 44178069
CID 44178070
CID 44178070
CID 59503456
CID 59503456
CID 59503468
CID 59503468
CID 59503510
CID 59503510

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide?
The IUPAC name of 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide (CID 59503879) is 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide is CCN(Cc1cc(Nc2nc(C)cn3c(-c4cnn(CC(=O)Nc5ccncc5F)c4)cnc23)sn1)C1(CO)CCCC1.
What is the InChIKey of 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide?
The InChIKey is YDRDJQPPBBCDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN10O2S/c1-3-38(29(18-41)7-4-5-8-29)16-21-10-26(43-37-21)36-27-28-32-13-24(40(28)14-19(2)34-27)20-11-33-39(15-20)17-25(42)35-23-6-9-31-12-22(23)30/h6,9-15,41H,3-5,7-8,16-18H2,1-2H3,(H,34,36)(H,31,35,42).
What are the key properties of 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide?
2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide has a molecular weight of 604.72 g/mol, XLogP of 4.40, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[[3-[[ethyl-[1-(hydroxymethyl)cyclopentyl]amino]methyl]-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 59503879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).