N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C23H22F2N6O2 — CID 155167708

IUPACN-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CN3CCC(F)(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C23H22F2N6O2/c24-23(25)6-9-29(10-7-23)13-16-4-5-19-27-17(15-30(19)14-16)12-26-22(33)18-11-21(32)31-8-2-1-3-20(31)28-18/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,26,33)
InChIKeyAZKKIRQQNRLORN-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.50
Rot. Bonds5

About N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167708) has the molecular formula C23H22F2N6O2 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID155167708
Molecular FormulaC23H22F2N6O2
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC NameN-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CN3CCC(F)(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C23H22F2N6O2/c24-23(25)6-9-29(10-7-23)13-16-4-5-19-27-17(15-30(19)14-16)12-26-22(33)18-11-21(32)31-8-2-1-3-20(31)28-18/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,26,33)
InChIKeyAZKKIRQQNRLORN-UHFFFAOYSA-N
XLogP2.50
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167708) is N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cn2cc(CN3CCC(F)(F)CC3)ccc2n1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is AZKKIRQQNRLORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O2/c24-23(25)6-9-29(10-7-23)13-16-4-5-19-27-17(15-30(19)14-16)12-26-22(33)18-11-21(32)31-8-2-1-3-20(31)28-18/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,26,33).
What are the key properties of N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).