4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide

C24H28FN11O2 — CID 66790135

IUPAC4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1ncc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C24H28FN11O2/c1-14-28-20(32-23(26)29-14)19-21(30-15-11-17(25)22(38-4)27-12-15)31-18-6-5-16(13-36(18)19)34-7-9-35(10-8-34)24(37)33(2)3/h5-6,11-13,30H,7-10H2,1-4H3,(H2,26,28,29,32)
InChIKeyDSSCANDYWLGILC-UHFFFAOYSA-N
MW521.56 g/mol
LogP2.17
Rot. Bonds5

About 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 66790135) has the molecular formula C24H28FN11O2 and a molecular weight of 521.56 g/mol. Its IUPAC name is 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID66790135
Molecular FormulaC24H28FN11O2
Molecular Weight521.56 g/mol
Exact Mass521.24
IUPAC Name4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOc1ncc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C24H28FN11O2/c1-14-28-20(32-23(26)29-14)19-21(30-15-11-17(25)22(38-4)27-12-15)31-18-6-5-16(13-36(18)19)34-7-9-35(10-8-34)24(37)33(2)3/h5-6,11-13,30H,7-10H2,1-4H3,(H2,26,28,29,32)
InChIKeyDSSCANDYWLGILC-UHFFFAOYSA-N
XLogP2.17
TPSA142.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.56
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 66790135) is 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide is COc1ncc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)cn3c2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is DSSCANDYWLGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN11O2/c1-14-28-20(32-23(26)29-14)19-21(30-15-11-17(25)22(38-4)27-12-15)31-18-6-5-16(13-36(18)19)34-7-9-35(10-8-34)24(37)33(2)3/h5-6,11-13,30H,7-10H2,1-4H3,(H2,26,28,29,32).
What are the key properties of 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 521.56 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 66790135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).