1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C21H20F3N7O — CID 59320913

IUPAC1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESNCCn1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C21H20F3N7O/c22-21(23,24)13-27-20(32)29-17-3-1-2-15(8-17)18-11-26-19-9-14(4-6-31(18)19)16-10-28-30(12-16)7-5-25/h1-4,6,8-12H,5,7,13,25H2,(H2,27,29,32)
InChIKeyHYGQZVUMGVWITD-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.51
Rot. Bonds6

About 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59320913) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59320913
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESNCCn1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1
InChIInChI=1S/C21H20F3N7O/c22-21(23,24)13-27-20(32)29-17-3-1-2-15(8-17)18-11-26-19-9-14(4-6-31(18)19)16-10-28-30(12-16)7-5-25/h1-4,6,8-12H,5,7,13,25H2,(H2,27,29,32)
InChIKeyHYGQZVUMGVWITD-UHFFFAOYSA-N
XLogP3.51
TPSA102.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59320913) is 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is NCCn1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1.
What is the InChIKey of 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HYGQZVUMGVWITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c22-21(23,24)13-27-20(32)29-17-3-1-2-15(8-17)18-11-26-19-9-14(4-6-31(18)19)16-10-28-30(12-16)7-5-25/h1-4,6,8-12H,5,7,13,25H2,(H2,27,29,32).
What are the key properties of 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 443.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[1-(2-aminoethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59320913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).