6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine

C22H27N5O — CID 166961670

IUPAC6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCN[C@@H](C)C4)n3)n2cc1C1CC1
InChIInChI=1S/C22H27N5O/c1-14-10-16(8-9-23-14)25-21-5-3-4-18(26-21)19-12-24-22-11-20(28-2)17(13-27(19)22)15-6-7-15/h3-5,11-16,23H,6-10H2,1-2H3,(H,25,26)/t14-,16-/m0/s1
InChIKeyLCXKOAGJKYRGCZ-HOCLYGCPSA-N
MW377.49 g/mol
LogP3.83
Rot. Bonds5

About 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine

6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine (PubChem CID 166961670) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine
PubChem CID166961670
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCN[C@@H](C)C4)n3)n2cc1C1CC1
InChIInChI=1S/C22H27N5O/c1-14-10-16(8-9-23-14)25-21-5-3-4-18(26-21)19-12-24-22-11-20(28-2)17(13-27(19)22)15-6-7-15/h3-5,11-16,23H,6-10H2,1-2H3,(H,25,26)/t14-,16-/m0/s1
InChIKeyLCXKOAGJKYRGCZ-HOCLYGCPSA-N
XLogP3.83
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine?
The IUPAC name of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine (CID 166961670) is 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(N[C@H]4CCN[C@@H](C)C4)n3)n2cc1C1CC1.
What is the InChIKey of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine?
The InChIKey is LCXKOAGJKYRGCZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-10-16(8-9-23-14)25-21-5-3-4-18(26-21)19-12-24-22-11-20(28-2)17(13-27(19)22)15-6-7-15/h3-5,11-16,23H,6-10H2,1-2H3,(H,25,26)/t14-,16-/m0/s1.
What are the key properties of 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine?
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 166961670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).