5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide

C28H26FN7O2 — CID 138689464

IUPAC5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide
SMILESNc1nc2c(F)cccc2c2nc(C(=O)NCc3ccccc3OC3CCN(c4ccccn4)CC3)cn12
InChIInChI=1S/C28H26FN7O2/c29-21-8-5-7-20-25(21)34-28(30)36-17-22(33-26(20)36)27(37)32-16-18-6-1-2-9-23(18)38-19-11-14-35(15-12-19)24-10-3-4-13-31-24/h1-10,13,17,19H,11-12,14-16H2,(H2,30,34)(H,32,37)
InChIKeyCYQKCEXQUPFAQH-UHFFFAOYSA-N
MW511.56 g/mol
LogP3.98
Rot. Bonds6

About 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide

5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide (PubChem CID 138689464) has the molecular formula C28H26FN7O2 and a molecular weight of 511.56 g/mol. Its IUPAC name is 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide
PubChem CID138689464
Molecular FormulaC28H26FN7O2
Molecular Weight511.56 g/mol
Exact Mass511.21
IUPAC Name5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide
SMILESNc1nc2c(F)cccc2c2nc(C(=O)NCc3ccccc3OC3CCN(c4ccccn4)CC3)cn12
InChIInChI=1S/C28H26FN7O2/c29-21-8-5-7-20-25(21)34-28(30)36-17-22(33-26(20)36)27(37)32-16-18-6-1-2-9-23(18)38-19-11-14-35(15-12-19)24-10-3-4-13-31-24/h1-10,13,17,19H,11-12,14-16H2,(H2,30,34)(H,32,37)
InChIKeyCYQKCEXQUPFAQH-UHFFFAOYSA-N
XLogP3.98
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide with MolForge

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Related Compounds

[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 138689236
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
3-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 25145573
1-[4-[4-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 138689287
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl] N-benzylcarbamate
CID 90928713
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide?
The IUPAC name of 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide (CID 138689464) is 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide.
What is the SMILES notation for 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide?
The canonical SMILES for 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide is Nc1nc2c(F)cccc2c2nc(C(=O)NCc3ccccc3OC3CCN(c4ccccn4)CC3)cn12.
What is the InChIKey of 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide?
The InChIKey is CYQKCEXQUPFAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O2/c29-21-8-5-7-20-25(21)34-28(30)36-17-22(33-26(20)36)27(37)32-16-18-6-1-2-9-23(18)38-19-11-14-35(15-12-19)24-10-3-4-13-31-24/h1-10,13,17,19H,11-12,14-16H2,(H2,30,34)(H,32,37).
What are the key properties of 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide?
5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide has a molecular weight of 511.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-fluoro-N-[[2-(1-pyridin-2-ylpiperidin-4-yl)oxyphenyl]methyl]imidazo[1,2-c]quinazoline-2-carboxamide is sourced from PubChem (CID 138689464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).