5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine

C19H19BrFN5O — CID 164974430

IUPAC5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(Br)cc(F)cc23)cc1N
InChIInChI=1S/C19H19BrFN5O/c1-27-18-15(22)7-11(10-23-18)16-13-8-12(21)9-14(20)17(13)25-19(24-16)26-5-3-2-4-6-26/h7-10H,2-6,22H2,1H3
InChIKeyLLSORXAQGXCCGR-UHFFFAOYSA-N
MW432.30 g/mol
LogP4.17
Rot. Bonds3

About 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine

5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine (PubChem CID 164974430) has the molecular formula C19H19BrFN5O and a molecular weight of 432.30 g/mol. Its IUPAC name is 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine
PubChem CID164974430
Molecular FormulaC19H19BrFN5O
Molecular Weight432.30 g/mol
Exact Mass431.08
IUPAC Name5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(Br)cc(F)cc23)cc1N
InChIInChI=1S/C19H19BrFN5O/c1-27-18-15(22)7-11(10-23-18)16-13-8-12(21)9-14(20)17(13)25-19(24-16)26-5-3-2-4-6-26/h7-10H,2-6,22H2,1H3
InChIKeyLLSORXAQGXCCGR-UHFFFAOYSA-N
XLogP4.17
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[6-fluoro-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylquinazolin-8-yl]oxycyclobutyl]propan-2-ol
CID 158135487
4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-(piperidin-1-ylmethyl)thieno[3,2-d]pyrimidine
CID 158058814
N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122502494
N-[5-[6-fluoro-2-morpholin-4-yl-8-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinazolin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122502442
5-(3,6-difluoro-2-pyridinyl)-2-methoxypyridin-3-amine
CID 177245437
2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine
CID 144812418
5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidine
CID 158058816
1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 158000021
1-[[6-fluoro-4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylquinazolin-8-yl]methyl]-N-(oxan-2-yloxy)piperidine-4-carboxamide
CID 171740193
tert-butyl 4-[[4-(5-amino-6-methoxy-3-pyridinyl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate
CID 122468917
5-[4-[[6-fluoro-4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-2-morpholin-4-ylquinazolin-8-yl]methyl]piperazin-1-yl]-N-hydroxypentanamide
CID 171740316

Frequently Asked Questions

What is the IUPAC name of 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine?
The IUPAC name of 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine (CID 164974430) is 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine?
The canonical SMILES for 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine is COc1ncc(-c2nc(N3CCCCC3)nc3c(Br)cc(F)cc23)cc1N.
What is the InChIKey of 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine?
The InChIKey is LLSORXAQGXCCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN5O/c1-27-18-15(22)7-11(10-23-18)16-13-8-12(21)9-14(20)17(13)25-19(24-16)26-5-3-2-4-6-26/h7-10H,2-6,22H2,1H3.
What are the key properties of 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine?
5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine has a molecular weight of 432.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromo-6-fluoro-2-piperidin-1-ylquinazolin-4-yl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 164974430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).