6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

C23H21N7O — CID 155587884

IUPAC6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1
InChIInChI=1S/C23H21N7O/c1-29-14-18(12-28-29)17-5-3-16(4-6-17)11-24-22-10-20(26-15-27-22)21-13-25-23-9-19(31-2)7-8-30(21)23/h3-10,12-15H,11H2,1-2H3,(H,24,26,27)
InChIKeyREODFJPJFIFZBL-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.81
Rot. Bonds6

About 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 155587884) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID155587884
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1
InChIInChI=1S/C23H21N7O/c1-29-14-18(12-28-29)17-5-3-16(4-6-17)11-24-22-10-20(26-15-27-22)21-13-25-23-9-19(31-2)7-8-30(21)23/h3-10,12-15H,11H2,1-2H3,(H,24,26,27)
InChIKeyREODFJPJFIFZBL-UHFFFAOYSA-N
XLogP3.81
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (CID 155587884) is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is COc1ccn2c(-c3cc(NCc4ccc(-c5cnn(C)c5)cc4)ncn3)cnc2c1.
What is the InChIKey of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is REODFJPJFIFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-29-14-18(12-28-29)17-5-3-16(4-6-17)11-24-22-10-20(26-15-27-22)21-13-25-23-9-19(31-2)7-8-30(21)23/h3-10,12-15H,11H2,1-2H3,(H,24,26,27).
What are the key properties of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 411.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155587884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).