N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine

C30H27N9O — CID 169055322

IUPACN-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
SMILESCc1cc(Nc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(N7CCOCC7)cc56)nc4)nc3n2)ccn1
InChIInChI=1S/C30H27N9O/c1-19-16-21(8-10-31-19)34-28-7-5-26-30(37-28)38-29(36-26)20-2-6-27(33-18-20)35-25-9-11-32-24-4-3-22(17-23(24)25)39-12-14-40-15-13-39/h2-11,16-18H,12-15H2,1H3,(H,32,33,35)(H2,31,34,36,37,38)
InChIKeyZSGGGLRPJRUDEN-UHFFFAOYSA-N
MW529.61 g/mol
LogP5.60
Rot. Bonds6

About N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine

N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine (PubChem CID 169055322) has the molecular formula C30H27N9O and a molecular weight of 529.61 g/mol. Its IUPAC name is N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
PubChem CID169055322
Molecular FormulaC30H27N9O
Molecular Weight529.61 g/mol
Exact Mass529.23
IUPAC NameN-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
SMILESCc1cc(Nc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(N7CCOCC7)cc56)nc4)nc3n2)ccn1
InChIInChI=1S/C30H27N9O/c1-19-16-21(8-10-31-19)34-28-7-5-26-30(37-28)38-29(36-26)20-2-6-27(33-18-20)35-25-9-11-32-24-4-3-22(17-23(24)25)39-12-14-40-15-13-39/h2-11,16-18H,12-15H2,1H3,(H,32,33,35)(H2,31,34,36,37,38)
InChIKeyZSGGGLRPJRUDEN-UHFFFAOYSA-N
XLogP5.60
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
CID 166833035
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane
CID 157044146
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043799
4-[[6-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]amino]quinoline-6-carbonitrile
CID 157043846
6-(3-fluoroazetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043355
N-[5-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)quinolin-4-amine
CID 170228324
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063
N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
CID 170229024
ethane;6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-[3-[6-(pyridin-4-ylamino)-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043067
4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]anilino]quinoline-6-carboxylic acid
CID 157043847
6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
CID 174087071
N-[6-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
CID 170229043

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine?
The IUPAC name of N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine (CID 169055322) is N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine.
What is the SMILES notation for N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine?
The canonical SMILES for N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine is Cc1cc(Nc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(N7CCOCC7)cc56)nc4)nc3n2)ccn1.
What is the InChIKey of N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine?
The InChIKey is ZSGGGLRPJRUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O/c1-19-16-21(8-10-31-19)34-28-7-5-26-30(37-28)38-29(36-26)20-2-6-27(33-18-20)35-25-9-11-32-24-4-3-22(17-23(24)25)39-12-14-40-15-13-39/h2-11,16-18H,12-15H2,1H3,(H,32,33,35)(H2,31,34,36,37,38).
What are the key properties of N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine?
N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine has a molecular weight of 529.61 g/mol, XLogP of 5.60, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine is sourced from PubChem (CID 169055322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).