3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine

C36H35FN16S2 — CID 123777122

IUPAC3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCC(C)F)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccccn3)ns2)n1
InChIInChI=1S/C19H16N8S.C17H19FN8S/c1-12-11-27-16(13-8-22-23-9-13)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-14-4-2-3-5-20-14;1-10(18)4-19-7-13-3-15(27-25-13)24-16-17-20-8-14(12-5-21-22-6-12)26(17)9-11(2)23-16/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25);3,5-6,8-10,19H,4,7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyACYOTTYKURQQQM-UHFFFAOYSA-N
MW774.92 g/mol
LogP6.69
Rot. Bonds12

About 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine

3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 123777122) has the molecular formula C36H35FN16S2 and a molecular weight of 774.92 g/mol. Its IUPAC name is 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
PubChem CID123777122
Molecular FormulaC36H35FN16S2
Molecular Weight774.92 g/mol
Exact Mass774.27
IUPAC Name3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCC(C)F)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccccn3)ns2)n1
InChIInChI=1S/C19H16N8S.C17H19FN8S/c1-12-11-27-16(13-8-22-23-9-13)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-14-4-2-3-5-20-14;1-10(18)4-19-7-13-3-15(27-25-13)24-16-17-20-8-14(12-5-21-22-6-12)26(17)9-11(2)23-16/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25);3,5-6,8-10,19H,4,7H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyACYOTTYKURQQQM-UHFFFAOYSA-N
XLogP6.69
TPSA192.50 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.92
LogP ≤ 56.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine with MolForge

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
Aurora inhibitor 1
CID 51003133
3-(1-{2-[(3-Fluoropyridinium-4-Yl)amino]-2-Oxoethyl}-1h-Pyrazol-4-Yl)-6-Methyl-8-[(3-{[(1r,3r)-3-Methylpiperidinium-1-Yl]methyl}-1,2-Thiazol-5-Yl)amino]imidazo[1,2-A]pyrazin-1-Ium
CID 135566615
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 11632327
N-[6-(4-fluorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094283
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25143601
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 25144294
3-[(3-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145424
3-[(5-fluoro-2-pyridinyl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 25145568
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(5-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145713
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145714
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 25145715

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine (CID 123777122) is 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCC(C)F)ns2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(Cc3ccccn3)ns2)n1.
What is the InChIKey of 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is ACYOTTYKURQQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8S.C17H19FN8S/c1-12-11-27-16(13-8-22-23-9-13)10-21-19(27)18(24-12)25-17-7-15(26-28-17)6-14-4-2-3-5-20-14;1-10(18)4-19-7-13-3-15(27-25-13)24-16-17-20-8-14(12-5-21-22-6-12)26(17)9-11(2)23-16/h2-5,7-11H,6H2,1H3,(H,22,23)(H,24,25);3,5-6,8-10,19H,4,7H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine?
3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 774.92 g/mol, XLogP of 6.69, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoropropylamino)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 123777122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).