4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide

C23H27FN6O2 — CID 170275067

IUPAC4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCNCc1cnc2ccc(C3CC=C(F)C=C3OCCc3c(C(=O)NC)n[nH]c3C)cn12
InChIInChI=1S/C23H27FN6O2/c1-14-18(22(29-28-14)23(31)26-3)8-9-32-20-10-16(24)5-6-19(20)15-4-7-21-27-12-17(11-25-2)30(21)13-15/h4-5,7,10,12-13,19,25H,6,8-9,11H2,1-3H3,(H,26,31)(H,28,29)
InChIKeyZUGDJBRGLAMGFS-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.93
Rot. Bonds8

About 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 170275067) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID170275067
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCNCc1cnc2ccc(C3CC=C(F)C=C3OCCc3c(C(=O)NC)n[nH]c3C)cn12
InChIInChI=1S/C23H27FN6O2/c1-14-18(22(29-28-14)23(31)26-3)8-9-32-20-10-16(24)5-6-19(20)15-4-7-21-27-12-17(11-25-2)30(21)13-15/h4-5,7,10,12-13,19,25H,6,8-9,11H2,1-3H3,(H,26,31)(H,28,29)
InChIKeyZUGDJBRGLAMGFS-UHFFFAOYSA-N
XLogP2.93
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 170275067) is 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is CNCc1cnc2ccc(C3CC=C(F)C=C3OCCc3c(C(=O)NC)n[nH]c3C)cn12.
What is the InChIKey of 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZUGDJBRGLAMGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-14-18(22(29-28-14)23(31)26-3)8-9-32-20-10-16(24)5-6-19(20)15-4-7-21-27-12-17(11-25-2)30(21)13-15/h4-5,7,10,12-13,19,25H,6,8-9,11H2,1-3H3,(H,26,31)(H,28,29).
What are the key properties of 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-6-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]cyclohexa-1,3-dien-1-yl]oxyethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 170275067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).