1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C25H24F3N7O — CID 59321150

IUPAC1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)nc4)ccn23)c1
InChIInChI=1S/C25H24F3N7O/c26-25(27,28)16-32-24(36)33-20-3-1-2-18(12-20)21-15-31-23-13-17(6-9-35(21)23)19-4-5-22(30-14-19)34-10-7-29-8-11-34/h1-6,9,12-15,29H,7-8,10-11,16H2,(H2,32,33,36)
InChIKeyDRONZJOMNMXPPT-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.16
Rot. Bonds5

About 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 59321150) has the molecular formula C25H24F3N7O and a molecular weight of 495.51 g/mol. Its IUPAC name is 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID59321150
Molecular FormulaC25H24F3N7O
Molecular Weight495.51 g/mol
Exact Mass495.20
IUPAC Name1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)nc4)ccn23)c1
InChIInChI=1S/C25H24F3N7O/c26-25(27,28)16-32-24(36)33-20-3-1-2-18(12-20)21-15-31-23-13-17(6-9-35(21)23)19-4-5-22(30-14-19)34-10-7-29-8-11-34/h1-6,9,12-15,29H,7-8,10-11,16H2,(H2,32,33,36)
InChIKeyDRONZJOMNMXPPT-UHFFFAOYSA-N
XLogP4.16
TPSA86.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 59321150) is 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCNCC5)nc4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DRONZJOMNMXPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O/c26-25(27,28)16-32-24(36)33-20-3-1-2-18(12-20)21-15-31-23-13-17(6-9-35(21)23)19-4-5-22(30-14-19)34-10-7-29-8-11-34/h1-6,9,12-15,29H,7-8,10-11,16H2,(H2,32,33,36).
What are the key properties of 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 495.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 59321150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).