5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide

C22H26N6O3 — CID 165414933

IUPAC5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
SMILESCOc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N(C)C)cnn2C)CC3)c1
InChIInChI=1S/C22H26N6O3/c1-26(2)22(30)17-12-23-27(3)20(17)21(29)24-15-8-9-28-13-18(25-19(28)11-15)14-6-5-7-16(10-14)31-4/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H,24,29)/t15-/m1/s1
InChIKeyCJKGLCPAWBLKMN-OAHLLOKOSA-N
MW422.49 g/mol
LogP1.74
Rot. Bonds5

About 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide

5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide (PubChem CID 165414933) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
PubChem CID165414933
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
SMILESCOc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N(C)C)cnn2C)CC3)c1
InChIInChI=1S/C22H26N6O3/c1-26(2)22(30)17-12-23-27(3)20(17)21(29)24-15-8-9-28-13-18(25-19(28)11-15)14-6-5-7-16(10-14)31-4/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H,24,29)/t15-/m1/s1
InChIKeyCJKGLCPAWBLKMN-OAHLLOKOSA-N
XLogP1.74
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide (CID 165414933) is 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide is COc1cccc(-c2cn3c(n2)C[C@H](NC(=O)c2c(C(=O)N(C)C)cnn2C)CC3)c1.
What is the InChIKey of 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
The InChIKey is CJKGLCPAWBLKMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-26(2)22(30)17-12-23-27(3)20(17)21(29)24-15-8-9-28-13-18(25-19(28)11-15)14-6-5-7-16(10-14)31-4/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H,24,29)/t15-/m1/s1.
What are the key properties of 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide?
5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(7R)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 165414933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).