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

C22H24FN7OS — CID 86275630

IUPACN-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3cc(C4(C)CC4)nn3CCF)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H24FN7OS/c1-14-11-29(13-24-14)17-5-4-15(25-20(17)31-3)16-12-32-21(26-16)27-19-10-18(22(2)6-7-22)28-30(19)9-8-23/h4-5,10-13H,6-9H2,1-3H3,(H,26,27)
InChIKeyNILWRUXKTRJTHF-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.67
Rot. Bonds8

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

N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 86275630) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID86275630
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC NameN-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1nc(-c2csc(Nc3cc(C4(C)CC4)nn3CCF)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H24FN7OS/c1-14-11-29(13-24-14)17-5-4-15(25-20(17)31-3)16-12-32-21(26-16)27-19-10-18(22(2)6-7-22)28-30(19)9-8-23/h4-5,10-13H,6-9H2,1-3H3,(H,26,27)
InChIKeyNILWRUXKTRJTHF-UHFFFAOYSA-N
XLogP4.67
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 86275630) is N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3cc(C4(C)CC4)nn3CCF)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is NILWRUXKTRJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7OS/c1-14-11-29(13-24-14)17-5-4-15(25-20(17)31-3)16-12-32-21(26-16)27-19-10-18(22(2)6-7-22)28-30(19)9-8-23/h4-5,10-13H,6-9H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 453.55 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)-3-(1-methylcyclopropyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86275630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).