N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C21H22FN7OS — CID 118684967

IUPACN-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCF)CCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H22FN7OS/c1-13-10-28(12-23-13)18-7-6-16(24-20(18)30-2)17-11-31-21(25-17)26-19-14-4-3-5-15(14)27-29(19)9-8-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,25,26)
InChIKeyFTHWMXAAFNYFAB-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 118684967) has the molecular formula C21H22FN7OS and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID118684967
Molecular FormulaC21H22FN7OS
Molecular Weight439.52 g/mol
Exact Mass439.16
IUPAC NameN-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3c4c(nn3CCF)CCC4)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H22FN7OS/c1-13-10-28(12-23-13)18-7-6-16(24-20(18)30-2)17-11-31-21(25-17)26-19-14-4-3-5-15(14)27-29(19)9-8-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,25,26)
InChIKeyFTHWMXAAFNYFAB-UHFFFAOYSA-N
XLogP4.11
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 118684967) is N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3CCF)CCC4)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is FTHWMXAAFNYFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7OS/c1-13-10-28(12-23-13)18-7-6-16(24-20(18)30-2)17-11-31-21(25-17)26-19-14-4-3-5-15(14)27-29(19)9-8-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 439.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118684967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).