6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide

C26H25FN4O3 — CID 177171727

IUPAC6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2cc(C3=CCCN(C(C)=O)C3)c(F)c3[nH]c(C(=O)N(C)C)cc23)c(C#N)c1
InChIInChI=1S/C26H25FN4O3/c1-15(32)31-9-5-6-16(14-31)20-11-21(19-8-7-18(34-4)10-17(19)13-28)22-12-23(26(33)30(2)3)29-25(22)24(20)27/h6-8,10-12,29H,5,9,14H2,1-4H3
InChIKeyVJNMZQNTLBJDLO-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.19
Rot. Bonds4

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 177171727) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID177171727
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2cc(C3=CCCN(C(C)=O)C3)c(F)c3[nH]c(C(=O)N(C)C)cc23)c(C#N)c1
InChIInChI=1S/C26H25FN4O3/c1-15(32)31-9-5-6-16(14-31)20-11-21(19-8-7-18(34-4)10-17(19)13-28)22-12-23(26(33)30(2)3)29-25(22)24(20)27/h6-8,10-12,29H,5,9,14H2,1-4H3
InChIKeyVJNMZQNTLBJDLO-UHFFFAOYSA-N
XLogP4.19
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (CID 177171727) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is COc1ccc(-c2cc(C3=CCCN(C(C)=O)C3)c(F)c3[nH]c(C(=O)N(C)C)cc23)c(C#N)c1.
What is the InChIKey of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is VJNMZQNTLBJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-15(32)31-9-5-6-16(14-31)20-11-21(19-8-7-18(34-4)10-17(19)13-28)22-12-23(26(33)30(2)3)29-25(22)24(20)27/h6-8,10-12,29H,5,9,14H2,1-4H3.
What are the key properties of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?
6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-cyano-4-methoxyphenyl)-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177171727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).