N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C23H18FN7O2 — CID 155167640

IUPACN-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CNc3ccc(F)cn3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C23H18FN7O2/c24-16-5-6-19(26-11-16)25-10-15-4-7-20-28-17(14-30(20)13-15)12-27-23(33)18-9-22(32)31-8-2-1-3-21(31)29-18/h1-9,11,13-14H,10,12H2,(H,25,26)(H,27,33)
InChIKeyPHUQGSBVKSOKRR-UHFFFAOYSA-N
MW443.44 g/mol
LogP2.42
Rot. Bonds6

About N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 155167640) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID155167640
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC NameN-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cn2cc(CNc3ccc(F)cn3)ccc2n1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C23H18FN7O2/c24-16-5-6-19(26-11-16)25-10-15-4-7-20-28-17(14-30(20)13-15)12-27-23(33)18-9-22(32)31-8-2-1-3-21(31)29-18/h1-9,11,13-14H,10,12H2,(H,25,26)(H,27,33)
InChIKeyPHUQGSBVKSOKRR-UHFFFAOYSA-N
XLogP2.42
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 155167640) is N-[[6-[[(5-fluoro-2-pyridinyl)amino]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-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1cn2cc(CNc3ccc(F)cn3)ccc2n1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is PHUQGSBVKSOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c24-16-5-6-19(26-11-16)25-10-15-4-7-20-28-17(14-30(20)13-15)12-27-23(33)18-9-22(32)31-8-2-1-3-21(31)29-18/h1-9,11,13-14H,10,12H2,(H,25,26)(H,27,33).
What are the key properties of N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 155167640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).