3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole

C23H23N5 — CID 71508711

IUPAC3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole
SMILESCN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1
InChIInChI=1S/C23H23N5/c1-27-10-6-17(7-11-27)22-15-28(20-4-8-24-9-5-20)23-3-2-18(12-21(22)23)19-13-25-16-26-14-19/h2-5,8-9,12-17H,6-7,10-11H2,1H3
InChIKeyOMRFHGXPJWNBFO-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.29
Rot. Bonds3

About 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole

3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole (PubChem CID 71508711) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole
PubChem CID71508711
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole
SMILESCN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1
InChIInChI=1S/C23H23N5/c1-27-10-6-17(7-11-27)22-15-28(20-4-8-24-9-5-20)23-3-2-18(12-21(22)23)19-13-25-16-26-14-19/h2-5,8-9,12-17H,6-7,10-11H2,1H3
InChIKeyOMRFHGXPJWNBFO-UHFFFAOYSA-N
XLogP4.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24882589
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CID 133082038
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CID 2813100
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CID 24905152
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CID 44422489
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CID 400433
CID 400433

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole (CID 71508711) is 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole is CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cncnc4)cc23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole?
The InChIKey is OMRFHGXPJWNBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-27-10-6-17(7-11-27)22-15-28(20-4-8-24-9-5-20)23-3-2-18(12-21(22)23)19-13-25-16-26-14-19/h2-5,8-9,12-17H,6-7,10-11H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole?
3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole has a molecular weight of 369.47 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1-pyridin-4-yl-5-pyrimidin-5-ylindole is sourced from PubChem (CID 71508711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).