1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one

C29H35N5O — CID 5329354

IUPAC1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one
SMILESCN(C)CC1CCCN(CCCn2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2=O)C1
InChIInChI=1S/C29H35N5O/c1-31(2)21-23-8-6-13-32(22-23)14-7-15-33-16-11-26(19-29(33)35)25-12-17-34-27(20-30-28(34)18-25)24-9-4-3-5-10-24/h3-5,9-12,16-20,23H,6-8,13-15,21-22H2,1-2H3
InChIKeyVXURXFPUZVZOQH-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.49
Rot. Bonds8

About 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one

1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one (PubChem CID 5329354) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one
PubChem CID5329354
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one
SMILESCN(C)CC1CCCN(CCCn2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2=O)C1
InChIInChI=1S/C29H35N5O/c1-31(2)21-23-8-6-13-32(22-23)14-7-15-33-16-11-26(19-29(33)35)25-12-17-34-27(20-30-28(34)18-25)24-9-4-3-5-10-24/h3-5,9-12,16-20,23H,6-8,13-15,21-22H2,1-2H3
InChIKeyVXURXFPUZVZOQH-UHFFFAOYSA-N
XLogP4.49
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Vevorisertib
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
The IUPAC name of 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one (CID 5329354) is 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one.
What is the SMILES notation for 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
The canonical SMILES for 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one is CN(C)CC1CCCN(CCCn2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2=O)C1.
What is the InChIKey of 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
The InChIKey is VXURXFPUZVZOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-31(2)21-23-8-6-13-32(22-23)14-7-15-33-16-11-26(19-29(33)35)25-12-17-34-27(20-30-28(34)18-25)24-9-4-3-5-10-24/h3-5,9-12,16-20,23H,6-8,13-15,21-22H2,1-2H3.
What are the key properties of 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one?
1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one has a molecular weight of 469.63 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]-4-(3-phenylimidazo[1,2-a]pyridin-7-yl)pyridin-2-one is sourced from PubChem (CID 5329354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).