N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine

C27H26FN11S2 — CID 59503699

IUPACN-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cnn(Cc4nnc(-c5ccncc5F)s4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H26FN11S2/c1-17-13-39-22(18-10-31-38(14-18)16-24-34-35-27(40-24)20-5-6-29-11-21(20)28)12-30-26(39)25(32-17)33-23-9-19(36-41-23)15-37-7-3-2-4-8-37/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,32,33)
InChIKeyZEFDXJPZLWSANU-UHFFFAOYSA-N
MW587.71 g/mol
LogP5.19
Rot. Bonds8

About N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine

N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (PubChem CID 59503699) has the molecular formula C27H26FN11S2 and a molecular weight of 587.71 g/mol. Its IUPAC name is N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
PubChem CID59503699
Molecular FormulaC27H26FN11S2
Molecular Weight587.71 g/mol
Exact Mass587.18
IUPAC NameN-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cnn(Cc4nnc(-c5ccncc5F)s4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C27H26FN11S2/c1-17-13-39-22(18-10-31-38(14-18)16-24-34-35-27(40-24)20-5-6-29-11-21(20)28)12-30-26(39)25(32-17)33-23-9-19(36-41-23)15-37-7-3-2-4-8-37/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,32,33)
InChIKeyZEFDXJPZLWSANU-UHFFFAOYSA-N
XLogP5.19
TPSA114.84 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500587.71
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The IUPAC name of N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine (CID 59503699) is N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is Cc1cn2c(-c3cnn(Cc4nnc(-c5ccncc5F)s4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
The InChIKey is ZEFDXJPZLWSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN11S2/c1-17-13-39-22(18-10-31-38(14-18)16-24-34-35-27(40-24)20-5-6-29-11-21(20)28)12-30-26(39)25(32-17)33-23-9-19(36-41-23)15-37-7-3-2-4-8-37/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,32,33).
What are the key properties of N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine?
N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine has a molecular weight of 587.71 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[5-(3-fluoro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 59503699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).