[4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone

C31H34FN5O — CID 23394213

IUPAC[4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone
SMILESCc1cc(CN2CCC(C(=O)N3CCC(c4c(-c5ccccn5)[nH]c5cc(F)ccc45)CC3)CC2)ccn1
InChIInChI=1S/C31H34FN5O/c1-21-18-22(7-13-33-21)20-36-14-8-24(9-15-36)31(38)37-16-10-23(11-17-37)29-26-6-5-25(32)19-28(26)35-30(29)27-4-2-3-12-34-27/h2-7,12-13,18-19,23-24,35H,8-11,14-17,20H2,1H3
InChIKeyRDNLNXUAHJXXMP-UHFFFAOYSA-N
MW511.65 g/mol
LogP5.69
Rot. Bonds5

About [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone

[4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone (PubChem CID 23394213) has the molecular formula C31H34FN5O and a molecular weight of 511.65 g/mol. Its IUPAC name is [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone
PubChem CID23394213
Molecular FormulaC31H34FN5O
Molecular Weight511.65 g/mol
Exact Mass511.27
IUPAC Name[4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone
SMILESCc1cc(CN2CCC(C(=O)N3CCC(c4c(-c5ccccn5)[nH]c5cc(F)ccc45)CC3)CC2)ccn1
InChIInChI=1S/C31H34FN5O/c1-21-18-22(7-13-33-21)20-36-14-8-24(9-15-36)31(38)37-16-10-23(11-17-37)29-26-6-5-25(32)19-28(26)35-30(29)27-4-2-3-12-34-27/h2-7,12-13,18-19,23-24,35H,8-11,14-17,20H2,1H3
InChIKeyRDNLNXUAHJXXMP-UHFFFAOYSA-N
XLogP5.69
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone (CID 23394213) is [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone is Cc1cc(CN2CCC(C(=O)N3CCC(c4c(-c5ccccn5)[nH]c5cc(F)ccc45)CC3)CC2)ccn1.
What is the InChIKey of [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone?
The InChIKey is RDNLNXUAHJXXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN5O/c1-21-18-22(7-13-33-21)20-36-14-8-24(9-15-36)31(38)37-16-10-23(11-17-37)29-26-6-5-25(32)19-28(26)35-30(29)27-4-2-3-12-34-27/h2-7,12-13,18-19,23-24,35H,8-11,14-17,20H2,1H3.
What are the key properties of [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone?
[4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone has a molecular weight of 511.65 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2-pyridin-2-yl-1H-indol-3-yl)piperidin-1-yl]-[1-[(2-methyl-4-pyridinyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 23394213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).