N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide

C33H29N7O — CID 67162707

IUPACN-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
SMILESCN(C)Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5ccccc5)c4)nc4ccccn34)n2)c1
InChIInChI=1S/C33H29N7O/c1-39(2)22-23-10-8-14-26(20-23)36-33-34-18-17-28(37-33)31-30(38-29-16-6-7-19-40(29)31)25-13-9-15-27(21-25)35-32(41)24-11-4-3-5-12-24/h3-21H,22H2,1-2H3,(H,35,41)(H,34,36,37)
InChIKeyDRQDSWZBNQZDCT-UHFFFAOYSA-N
MW539.64 g/mol
LogP6.52
Rot. Bonds8

About N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide

N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide (PubChem CID 67162707) has the molecular formula C33H29N7O and a molecular weight of 539.64 g/mol. Its IUPAC name is N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
PubChem CID67162707
Molecular FormulaC33H29N7O
Molecular Weight539.64 g/mol
Exact Mass539.24
IUPAC NameN-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide
SMILESCN(C)Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5ccccc5)c4)nc4ccccn34)n2)c1
InChIInChI=1S/C33H29N7O/c1-39(2)22-23-10-8-14-26(20-23)36-33-34-18-17-28(37-33)31-30(38-29-16-6-7-19-40(29)31)25-13-9-15-27(21-25)35-32(41)24-11-4-3-5-12-24/h3-21H,22H2,1-2H3,(H,35,41)(H,34,36,37)
InChIKeyDRQDSWZBNQZDCT-UHFFFAOYSA-N
XLogP6.52
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide (CID 67162707) is N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide is CN(C)Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5ccccc5)c4)nc4ccccn34)n2)c1.
What is the InChIKey of N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide?
The InChIKey is DRQDSWZBNQZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N7O/c1-39(2)22-23-10-8-14-26(20-23)36-33-34-18-17-28(37-33)31-30(38-29-16-6-7-19-40(29)31)25-13-9-15-27(21-25)35-32(41)24-11-4-3-5-12-24/h3-21H,22H2,1-2H3,(H,35,41)(H,34,36,37).
What are the key properties of N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide?
N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide has a molecular weight of 539.64 g/mol, XLogP of 6.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-[3-[(dimethylamino)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 67162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).