N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C35H36FN7O2 — CID 126557003

IUPACN-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(C4=NCCc5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc54)cc23)c1
InChIInChI=1S/C35H36FN7O2/c1-35(2,3)34(44)41-25-13-23(18-37-20-25)30-16-27-21(19-40-30)6-8-39-33(27)31-17-28-29(42-31)7-9-38-32(28)22-12-24(36)15-26(14-22)45-11-10-43(4)5/h7,9,12-20,42H,6,8,10-11H2,1-5H3,(H,41,44)
InChIKeyLLLFKRFMLDTIDM-UHFFFAOYSA-N
MW605.72 g/mol
LogP6.14
Rot. Bonds8

About N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 126557003) has the molecular formula C35H36FN7O2 and a molecular weight of 605.72 g/mol. Its IUPAC name is N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID126557003
Molecular FormulaC35H36FN7O2
Molecular Weight605.72 g/mol
Exact Mass605.29
IUPAC NameN-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(C4=NCCc5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc54)cc23)c1
InChIInChI=1S/C35H36FN7O2/c1-35(2,3)34(44)41-25-13-23(18-37-20-25)30-16-27-21(19-40-30)6-8-39-33(27)31-17-28-29(42-31)7-9-38-32(28)22-12-24(36)15-26(14-22)45-11-10-43(4)5/h7,9,12-20,42H,6,8,10-11H2,1-5H3,(H,41,44)
InChIKeyLLLFKRFMLDTIDM-UHFFFAOYSA-N
XLogP6.14
TPSA108.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 126557003) is N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(C4=NCCc5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc54)cc23)c1.
What is the InChIKey of N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is LLLFKRFMLDTIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN7O2/c1-35(2,3)34(44)41-25-13-23(18-37-20-25)30-16-27-21(19-40-30)6-8-39-33(27)31-17-28-29(42-31)7-9-38-32(28)22-12-24(36)15-26(14-22)45-11-10-43(4)5/h7,9,12-20,42H,6,8,10-11H2,1-5H3,(H,41,44).
What are the key properties of N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 605.72 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-7,8-dihydro-2,6-naphthyridin-3-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 126557003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).