4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C23H24FN7 — CID 24888085

IUPAC4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C23H24FN7/c1-29-10-12-30(13-11-29)15-16-7-9-31-20(14-16)28-21(17-2-4-18(24)5-3-17)22(31)19-6-8-26-23(25)27-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27)
InChIKeyRSUPPQAYVGNFJL-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.93
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24888085) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24888085
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C23H24FN7/c1-29-10-12-30(13-11-29)15-16-7-9-31-20(14-16)28-21(17-2-4-18(24)5-3-17)22(31)19-6-8-26-23(25)27-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27)
InChIKeyRSUPPQAYVGNFJL-UHFFFAOYSA-N
XLogP2.93
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24888085) is 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN1CCN(Cc2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is RSUPPQAYVGNFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-29-10-12-30(13-11-29)15-16-7-9-31-20(14-16)28-21(17-2-4-18(24)5-3-17)22(31)19-6-8-26-23(25)27-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 417.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24888085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).