1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

C23H23F3N8O — CID 44547900

IUPAC1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)c1
InChIInChI=1S/C23H23F3N8O/c24-23(25,26)14-30-22(35)32-18-7-16(9-28-11-18)20-12-29-21-8-15(3-6-33(20)21)17-10-31-34(13-17)19-1-4-27-5-2-19/h3,6-13,19,27H,1-2,4-5,14H2,(H2,30,32,35)
InChIKeyMHKDNJZDYJPDJU-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.87
Rot. Bonds5

About 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea

1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44547900) has the molecular formula C23H23F3N8O and a molecular weight of 484.49 g/mol. Its IUPAC name is 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44547900
Molecular FormulaC23H23F3N8O
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)c1
InChIInChI=1S/C23H23F3N8O/c24-23(25,26)14-30-22(35)32-18-7-16(9-28-11-18)20-12-29-21-8-15(3-6-33(20)21)17-10-31-34(13-17)19-1-4-27-5-2-19/h3,6-13,19,27H,1-2,4-5,14H2,(H2,30,32,35)
InChIKeyMHKDNJZDYJPDJU-UHFFFAOYSA-N
XLogP3.87
TPSA101.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea (CID 44547900) is 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cnn(C5CCNCC5)c4)ccn23)c1.
What is the InChIKey of 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is MHKDNJZDYJPDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O/c24-23(25,26)14-30-22(35)32-18-7-16(9-28-11-18)20-12-29-21-8-15(3-6-33(20)21)17-10-31-34(13-17)19-1-4-27-5-2-19/h3,6-13,19,27H,1-2,4-5,14H2,(H2,30,32,35).
What are the key properties of 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea?
1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 484.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44547900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).