N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C23H28F2N8O — CID 163367956

IUPACN-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCN1CCN(c2ncc(F)c(N3CC(C(=O)NC(C)(C)c4cnc5c(F)cccn45)C3)n2)CC1
InChIInChI=1S/C23H28F2N8O/c1-23(2,18-12-26-19-16(24)5-4-6-33(18)19)29-21(34)15-13-32(14-15)20-17(25)11-27-22(28-20)31-9-7-30(3)8-10-31/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,29,34)
InChIKeyIOXVPPJSSFCWOW-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 163367956) has the molecular formula C23H28F2N8O and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID163367956
Molecular FormulaC23H28F2N8O
Molecular Weight470.53 g/mol
Exact Mass470.24
IUPAC NameN-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCN1CCN(c2ncc(F)c(N3CC(C(=O)NC(C)(C)c4cnc5c(F)cccn45)C3)n2)CC1
InChIInChI=1S/C23H28F2N8O/c1-23(2,18-12-26-19-16(24)5-4-6-33(18)19)29-21(34)15-13-32(14-15)20-17(25)11-27-22(28-20)31-9-7-30(3)8-10-31/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,29,34)
InChIKeyIOXVPPJSSFCWOW-UHFFFAOYSA-N
XLogP1.64
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 163367956) is N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is CN1CCN(c2ncc(F)c(N3CC(C(=O)NC(C)(C)c4cnc5c(F)cccn45)C3)n2)CC1.
What is the InChIKey of N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is IOXVPPJSSFCWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N8O/c1-23(2,18-12-26-19-16(24)5-4-6-33(18)19)29-21(34)15-13-32(14-15)20-17(25)11-27-22(28-20)31-9-7-30(3)8-10-31/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,29,34).
What are the key properties of N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propan-2-yl]-1-[5-fluoro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 163367956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).