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

C25H29FN10O2 — CID 66789004

IUPAC4-[3-(6-amino-2-methylpyrimidin-4-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-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C25H29FN10O2/c1-15-29-19(12-20(27)30-15)22-23(31-16-11-18(26)24(38-4)28-13-16)32-21-6-5-17(14-36(21)22)34-7-9-35(10-8-34)25(37)33(2)3/h5-6,11-14,31H,7-10H2,1-4H3,(H2,27,29,30)
InChIKeySEEDWMPOOLUOBM-UHFFFAOYSA-N
MW520.57 g/mol
LogP2.77
Rot. Bonds5

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

4-[3-(6-amino-2-methylpyrimidin-4-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 66789004) has the molecular formula C25H29FN10O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is 4-[3-(6-amino-2-methylpyrimidin-4-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-(6-amino-2-methylpyrimidin-4-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID66789004
Molecular FormulaC25H29FN10O2
Molecular Weight520.57 g/mol
Exact Mass520.25
IUPAC Name4-[3-(6-amino-2-methylpyrimidin-4-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-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C25H29FN10O2/c1-15-29-19(12-20(27)30-15)22-23(31-16-11-18(26)24(38-4)28-13-16)32-21-6-5-17(14-36(21)22)34-7-9-35(10-8-34)25(37)33(2)3/h5-6,11-14,31H,7-10H2,1-4H3,(H2,27,29,30)
InChIKeySEEDWMPOOLUOBM-UHFFFAOYSA-N
XLogP2.77
TPSA130.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[3-(6-amino-2-methylpyrimidin-4-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-(6-amino-2-methylpyrimidin-4-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-(6-amino-2-methylpyrimidin-4-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 66789004) is 4-[3-(6-amino-2-methylpyrimidin-4-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-(6-amino-2-methylpyrimidin-4-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-(6-amino-2-methylpyrimidin-4-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-c2cc(N)nc(C)n2)cc1F.
What is the InChIKey of 4-[3-(6-amino-2-methylpyrimidin-4-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is SEEDWMPOOLUOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN10O2/c1-15-29-19(12-20(27)30-15)22-23(31-16-11-18(26)24(38-4)28-13-16)32-21-6-5-17(14-36(21)22)34-7-9-35(10-8-34)25(37)33(2)3/h5-6,11-14,31H,7-10H2,1-4H3,(H2,27,29,30).
What are the key properties of 4-[3-(6-amino-2-methylpyrimidin-4-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(6-amino-2-methylpyrimidin-4-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 520.57 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-amino-2-methylpyrimidin-4-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 66789004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).