6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C22H21F2N7O2 — CID 169266040

IUPAC6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(F)n1
InChIInChI=1S/C22H21F2N7O2/c1-25-21(32)15-4-5-16(19(24)27-15)30-10-8-29(9-11-30)12-13-2-3-14-18(17(13)23)28-22(33)31-7-6-26-20(14)31/h2-7H,8-12H2,1H3,(H,25,32)(H,28,33)
InChIKeyUVLALEQZYTVIOC-UHFFFAOYSA-N
MW453.45 g/mol
LogP1.53
Rot. Bonds4

About 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 169266040) has the molecular formula C22H21F2N7O2 and a molecular weight of 453.45 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID169266040
Molecular FormulaC22H21F2N7O2
Molecular Weight453.45 g/mol
Exact Mass453.17
IUPAC Name6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(F)n1
InChIInChI=1S/C22H21F2N7O2/c1-25-21(32)15-4-5-16(19(24)27-15)30-10-8-29(9-11-30)12-13-2-3-14-18(17(13)23)28-22(33)31-7-6-26-20(14)31/h2-7H,8-12H2,1H3,(H,25,32)(H,28,33)
InChIKeyUVLALEQZYTVIOC-UHFFFAOYSA-N
XLogP1.53
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-ethyl-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 172560188
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
6-fluoro-5-[4-[(6-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982748
6-fluoro-5-[4-[(6-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560205
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
5-[4-[[3-(cyclopropylmethyl)-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 170981265
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
6-fluoro-N-methyl-5-[4-[(6-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572839
6-fluoro-5-[4-[(6-fluoro-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169266052
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 169266040) is 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is UVLALEQZYTVIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O2/c1-25-21(32)15-4-5-16(19(24)27-15)30-10-8-29(9-11-30)12-13-2-3-14-18(17(13)23)28-22(33)31-7-6-26-20(14)31/h2-7H,8-12H2,1H3,(H,25,32)(H,28,33).
What are the key properties of 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-[(7-fluoro-5-oxo-6H-imidazo[1,2-c]quinazolin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169266040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).