N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide

C26H26FN5O — CID 11662227

IUPACN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
SMILESCN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cnccn2)CC1
InChIInChI=1S/C26H26FN5O/c1-31-12-7-22(8-13-31)32(26(33)25-16-28-10-11-30-25)17-21-15-18(2-4-23(21)27)19-3-5-24-20(14-19)6-9-29-24/h2-6,9-11,14-16,22,29H,7-8,12-13,17H2,1H3
InChIKeyPKFQTSKCDVPHJQ-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide

N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide (PubChem CID 11662227) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
PubChem CID11662227
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
SMILESCN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cnccn2)CC1
InChIInChI=1S/C26H26FN5O/c1-31-12-7-22(8-13-31)32(26(33)25-16-28-10-11-30-25)17-21-15-18(2-4-23(21)27)19-3-5-24-20(14-19)6-9-29-24/h2-6,9-11,14-16,22,29H,7-8,12-13,17H2,1H3
InChIKeyPKFQTSKCDVPHJQ-UHFFFAOYSA-N
XLogP4.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide (CID 11662227) is N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide is CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cnccn2)CC1.
What is the InChIKey of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
The InChIKey is PKFQTSKCDVPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-31-12-7-22(8-13-31)32(26(33)25-16-28-10-11-30-25)17-21-15-18(2-4-23(21)27)19-3-5-24-20(14-19)6-9-29-24/h2-6,9-11,14-16,22,29H,7-8,12-13,17H2,1H3.
What are the key properties of N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide?
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 11662227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).