N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C25H22BrF2N5 — CID 59631584

IUPACN-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C25H22BrF2N5/c1-15-23(19-7-3-4-8-29-19)31-20-13-17(27)12-18(28)22(20)24(15)32-21-11-16(26)14-30-25(21)33-9-5-2-6-10-33/h3-4,7-8,11-14H,2,5-6,9-10H2,1H3,(H,31,32)
InChIKeyUKBDTUXPKXECSW-UHFFFAOYSA-N
MW510.39 g/mol
LogP6.77
Rot. Bonds4

About N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631584) has the molecular formula C25H22BrF2N5 and a molecular weight of 510.39 g/mol. Its IUPAC name is N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631584
Molecular FormulaC25H22BrF2N5
Molecular Weight510.39 g/mol
Exact Mass509.10
IUPAC NameN-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCCCC1
InChIInChI=1S/C25H22BrF2N5/c1-15-23(19-7-3-4-8-29-19)31-20-13-17(27)12-18(28)22(20)24(15)32-21-11-16(26)14-30-25(21)33-9-5-2-6-10-33/h3-4,7-8,11-14H,2,5-6,9-10H2,1H3,(H,31,32)
InChIKeyUKBDTUXPKXECSW-UHFFFAOYSA-N
XLogP6.77
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631584) is N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UKBDTUXPKXECSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrF2N5/c1-15-23(19-7-3-4-8-29-19)31-20-13-17(27)12-18(28)22(20)24(15)32-21-11-16(26)14-30-25(21)33-9-5-2-6-10-33/h3-4,7-8,11-14H,2,5-6,9-10H2,1H3,(H,31,32).
What are the key properties of N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 510.39 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-piperidin-1-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).