5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

C24H25F2N7O — CID 134228524

IUPAC5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc(F)c(-c2cc(F)c3nc(C)cn3c2)n1
InChIInChI=1S/C24H25F2N7O/c1-15-13-33-14-16(10-18(25)23(33)28-15)22-19(26)12-27-24(30-22)29-20-5-4-17(11-21(20)34-3)32-8-6-31(2)7-9-32/h4-5,10-14H,6-9H2,1-3H3,(H,27,29,30)
InChIKeyHHPHHXBIXDPWBE-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.88
Rot. Bonds5

About 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine

5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 134228524) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
PubChem CID134228524
Molecular FormulaC24H25F2N7O
Molecular Weight465.51 g/mol
Exact Mass465.21
IUPAC Name5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc(F)c(-c2cc(F)c3nc(C)cn3c2)n1
InChIInChI=1S/C24H25F2N7O/c1-15-13-33-14-16(10-18(25)23(33)28-15)22-19(26)12-27-24(30-22)29-20-5-4-17(11-21(20)34-3)32-8-6-31(2)7-9-32/h4-5,10-14H,6-9H2,1-3H3,(H,27,29,30)
InChIKeyHHPHHXBIXDPWBE-UHFFFAOYSA-N
XLogP3.88
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine (CID 134228524) is 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(F)c(-c2cc(F)c3nc(C)cn3c2)n1.
What is the InChIKey of 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
The InChIKey is HHPHHXBIXDPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O/c1-15-13-33-14-16(10-18(25)23(33)28-15)22-19(26)12-27-24(30-22)29-20-5-4-17(11-21(20)34-3)32-8-6-31(2)7-9-32/h4-5,10-14H,6-9H2,1-3H3,(H,27,29,30).
What are the key properties of 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine?
5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 465.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 134228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).