N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide

C26H27N5O — CID 5329348

IUPACN-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-27-26(32)30-15-13-29(14-16-30)19-20-7-9-21(10-8-20)23-11-12-31-24(18-28-25(31)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3,(H,27,32)
InChIKeyYGQOGVAIMSUGMK-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.13
Rot. Bonds4

About N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide

N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 5329348) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID5329348
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C26H27N5O/c1-27-26(32)30-15-13-29(14-16-30)19-20-7-9-21(10-8-20)23-11-12-31-24(18-28-25(31)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3,(H,27,32)
InChIKeyYGQOGVAIMSUGMK-UHFFFAOYSA-N
XLogP4.13
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide (CID 5329348) is N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide is CNC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1.
What is the InChIKey of N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is YGQOGVAIMSUGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-27-26(32)30-15-13-29(14-16-30)19-20-7-9-21(10-8-20)23-11-12-31-24(18-28-25(31)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3,(H,27,32).
What are the key properties of N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 5329348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).