methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate

C25H25N5O3 — CID 166672988

IUPACmethyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)c1ccn2c(-c3cccc(-n4nc(C)cc4C)c3)cnc2c1)C1CC1
InChIInChI=1S/C25H25N5O3/c1-15-11-16(2)30(28-15)20-6-4-5-18(12-20)21-14-26-22-13-19(9-10-29(21)22)24(31)27-23(17-7-8-17)25(32)33-3/h4-6,9-14,17,23H,7-8H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyVYNWDYJNZUEWGL-QHCPKHFHSA-N
MW443.51 g/mol
LogP3.49
Rot. Bonds6

About methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate

methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate (PubChem CID 166672988) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate
PubChem CID166672988
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Namemethyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)c1ccn2c(-c3cccc(-n4nc(C)cc4C)c3)cnc2c1)C1CC1
InChIInChI=1S/C25H25N5O3/c1-15-11-16(2)30(28-15)20-6-4-5-18(12-20)21-14-26-22-13-19(9-10-29(21)22)24(31)27-23(17-7-8-17)25(32)33-3/h4-6,9-14,17,23H,7-8H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyVYNWDYJNZUEWGL-QHCPKHFHSA-N
XLogP3.49
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate?
The IUPAC name of methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate (CID 166672988) is methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate.
What is the SMILES notation for methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate?
The canonical SMILES for methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate is COC(=O)[C@@H](NC(=O)c1ccn2c(-c3cccc(-n4nc(C)cc4C)c3)cnc2c1)C1CC1.
What is the InChIKey of methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate?
The InChIKey is VYNWDYJNZUEWGL-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-11-16(2)30(28-15)20-6-4-5-18(12-20)21-14-26-22-13-19(9-10-29(21)22)24(31)27-23(17-7-8-17)25(32)33-3/h4-6,9-14,17,23H,7-8H2,1-3H3,(H,27,31)/t23-/m0/s1.
What are the key properties of methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate?
methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate has a molecular weight of 443.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cyclopropyl-2-[[3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]acetate is sourced from PubChem (CID 166672988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).