N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide

C26H26ClF3N8O4 — CID 157041584

IUPACN-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)CCN5CCOCC5)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C26H26ClF3N8O4/c1-36-14-15(26(28,29)30)11-17(24(36)40)33-25-35-23-22(37(25)2)21(27)18(13-32-23)42-16-3-5-31-19(12-16)34-20(39)4-6-38-7-9-41-10-8-38/h3,5,11-14H,4,6-10H2,1-2H3,(H,31,34,39)(H,32,33,35)
InChIKeyMCACQRQSRQPGKF-UHFFFAOYSA-N
MW606.99 g/mol
LogP3.93
Rot. Bonds8

About N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide

N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide (PubChem CID 157041584) has the molecular formula C26H26ClF3N8O4 and a molecular weight of 606.99 g/mol. Its IUPAC name is N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide
PubChem CID157041584
Molecular FormulaC26H26ClF3N8O4
Molecular Weight606.99 g/mol
Exact Mass606.17
IUPAC NameN-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)CCN5CCOCC5)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C26H26ClF3N8O4/c1-36-14-15(26(28,29)30)11-17(24(36)40)33-25-35-23-22(37(25)2)21(27)18(13-32-23)42-16-3-5-31-19(12-16)34-20(39)4-6-38-7-9-41-10-8-38/h3,5,11-14H,4,6-10H2,1-2H3,(H,31,34,39)(H,32,33,35)
InChIKeyMCACQRQSRQPGKF-UHFFFAOYSA-N
XLogP3.93
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.99
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide (CID 157041584) is N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide is Cn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)CCN5CCOCC5)c4)c(Cl)c3n2C)c1=O.
What is the InChIKey of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide?
The InChIKey is MCACQRQSRQPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N8O4/c1-36-14-15(26(28,29)30)11-17(24(36)40)33-25-35-23-22(37(25)2)21(27)18(13-32-23)42-16-3-5-31-19(12-16)34-20(39)4-6-38-7-9-41-10-8-38/h3,5,11-14H,4,6-10H2,1-2H3,(H,31,34,39)(H,32,33,35).
What are the key properties of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide?
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide has a molecular weight of 606.99 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 157041584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).