4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide

C32H36N4O3 — CID 139538301

IUPAC4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide
SMILESCC(CC(C)(C)OC(C)C)Nc1ccc(-c2ccnc3cc(-c4ccc(C(=O)N(C)C)cc4)oc23)cc1C#N
InChIInChI=1S/C32H36N4O3/c1-20(2)39-32(4,5)18-21(3)35-27-13-12-24(16-25(27)19-33)26-14-15-34-28-17-29(38-30(26)28)22-8-10-23(11-9-22)31(37)36(6)7/h8-17,20-21,35H,18H2,1-7H3
InChIKeyPADXSWXPMIPFJV-UHFFFAOYSA-N
MW524.67 g/mol
LogP7.13
Rot. Bonds9

About 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide

4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide (PubChem CID 139538301) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide
PubChem CID139538301
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC Name4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide
SMILESCC(CC(C)(C)OC(C)C)Nc1ccc(-c2ccnc3cc(-c4ccc(C(=O)N(C)C)cc4)oc23)cc1C#N
InChIInChI=1S/C32H36N4O3/c1-20(2)39-32(4,5)18-21(3)35-27-13-12-24(16-25(27)19-33)26-14-15-34-28-17-29(38-30(26)28)22-8-10-23(11-9-22)31(37)36(6)7/h8-17,20-21,35H,18H2,1-7H3
InChIKeyPADXSWXPMIPFJV-UHFFFAOYSA-N
XLogP7.13
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide (CID 139538301) is 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide is CC(CC(C)(C)OC(C)C)Nc1ccc(-c2ccnc3cc(-c4ccc(C(=O)N(C)C)cc4)oc23)cc1C#N.
What is the InChIKey of 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is PADXSWXPMIPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-20(2)39-32(4,5)18-21(3)35-27-13-12-24(16-25(27)19-33)26-14-15-34-28-17-29(38-30(26)28)22-8-10-23(11-9-22)31(37)36(6)7/h8-17,20-21,35H,18H2,1-7H3.
What are the key properties of 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide?
4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 524.67 g/mol, XLogP of 7.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-cyano-4-[(4-methyl-4-propan-2-yloxypentan-2-yl)amino]phenyl]furo[3,2-b]pyridin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 139538301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).