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

C33H33N9O — CID 170229043

IUPACN-[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
SMILESCCc1cc(N(C)c2cnc3nc(-c4ccc(Nc5cc(C)nc6ccc(N7CCOCC7)cc56)cn4)[nH]c3c2)ccn1
InChIInChI=1S/C33H33N9O/c1-4-22-16-24(9-10-34-22)41(3)26-18-31-32(36-20-26)40-33(39-31)29-7-5-23(19-35-29)38-30-15-21(2)37-28-8-6-25(17-27(28)30)42-11-13-43-14-12-42/h5-10,15-20H,4,11-14H2,1-3H3,(H,37,38)(H,36,39,40)
InChIKeyNUYBCYORPUIDQT-UHFFFAOYSA-N
MW571.69 g/mol
LogP6.18
Rot. Bonds7

About 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

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 (PubChem CID 170229043) has the molecular formula C33H33N9O and a molecular weight of 571.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170229043
Molecular FormulaC33H33N9O
Molecular Weight571.69 g/mol
Exact Mass571.28
IUPAC NameN-[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
SMILESCCc1cc(N(C)c2cnc3nc(-c4ccc(Nc5cc(C)nc6ccc(N7CCOCC7)cc56)cn4)[nH]c3c2)ccn1
InChIInChI=1S/C33H33N9O/c1-4-22-16-24(9-10-34-22)41(3)26-18-31-32(36-20-26)40-33(39-31)29-7-5-23(19-35-29)38-30-15-21(2)37-28-8-6-25(17-27(28)30)42-11-13-43-14-12-42/h5-10,15-20H,4,11-14H2,1-3H3,(H,37,38)(H,36,39,40)
InChIKeyNUYBCYORPUIDQT-UHFFFAOYSA-N
XLogP6.18
TPSA107.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.69
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[6-[(2-ethyl-4-pyridinyl)-methylamino]-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-morpholin-4-ylquinolin-4-amine
CID 170229024
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
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
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063
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
N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]-2-pyridinyl]-6-morpholin-4-ylquinolin-4-amine
CID 166833035
6-N,6-N-dimethyl-4-N-[4-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
CID 174087050
6-[2-[[4-(1,3-dioxolan-2-yl)anilino]methyl]-6-methylmorpholin-4-yl]-N-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-2-methylquinolin-4-amine
CID 170017299
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043799
methyl 2-methyl-4-(4-piperidin-1-ylanilino)quinoline-6-carboxylate
CID 23854503

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(N(C)c2cnc3nc(-c4ccc(Nc5cc(C)nc6ccc(N7CCOCC7)cc56)cn4)[nH]c3c2)ccn1.
What is the InChIKey of 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?
The InChIKey is NUYBCYORPUIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N9O/c1-4-22-16-24(9-10-34-22)41(3)26-18-31-32(36-20-26)40-33(39-31)29-7-5-23(19-35-29)38-30-15-21(2)37-28-8-6-25(17-27(28)30)42-11-13-43-14-12-42/h5-10,15-20H,4,11-14H2,1-3H3,(H,37,38)(H,36,39,40).
What are the key properties of 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?
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 has a molecular weight of 571.69 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170229043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).