methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate

C24H25N7O5 — CID 53468454

IUPACmethyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCC(=O)OC)c3)nc2n1
InChIInChI=1S/C24H25N7O5/c1-5-29(2)23(34)17-12-25-30(3)21(17)22(33)27-19-9-10-31-13-18(26-24(31)28-19)15-7-6-8-16(11-15)36-14-20(32)35-4/h6-13H,5,14H2,1-4H3,(H,26,27,28,33)
InChIKeyQIXZVSRRJOGADO-UHFFFAOYSA-N
MW491.51 g/mol
LogP2.03
Rot. Bonds8

About methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate

methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate (PubChem CID 53468454) has the molecular formula C24H25N7O5 and a molecular weight of 491.51 g/mol. Its IUPAC name is methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate
PubChem CID53468454
Molecular FormulaC24H25N7O5
Molecular Weight491.51 g/mol
Exact Mass491.19
IUPAC Namemethyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCC(=O)OC)c3)nc2n1
InChIInChI=1S/C24H25N7O5/c1-5-29(2)23(34)17-12-25-30(3)21(17)22(33)27-19-9-10-31-13-18(26-24(31)28-19)15-7-6-8-16(11-15)36-14-20(32)35-4/h6-13H,5,14H2,1-4H3,(H,26,27,28,33)
InChIKeyQIXZVSRRJOGADO-UHFFFAOYSA-N
XLogP2.03
TPSA132.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate (CID 53468454) is methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate is CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(OCC(=O)OC)c3)nc2n1.
What is the InChIKey of methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate?
The InChIKey is QIXZVSRRJOGADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O5/c1-5-29(2)23(34)17-12-25-30(3)21(17)22(33)27-19-9-10-31-13-18(26-24(31)28-19)15-7-6-8-16(11-15)36-14-20(32)35-4/h6-13H,5,14H2,1-4H3,(H,26,27,28,33).
What are the key properties of methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate?
methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate has a molecular weight of 491.51 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[7-[[4-[ethyl(methyl)carbamoyl]-1-methylpyrazole-5-carbonyl]amino]imidazo[1,2-a]pyrimidin-2-yl]phenoxy]acetate is sourced from PubChem (CID 53468454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).