1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide

C27H30N6O3 — CID 67806870

IUPAC1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
SMILESCCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1
InChIInChI=1S/C27H30N6O3/c1-2-19-16-30-27(31-17-19)32-11-8-22(9-12-32)36-23-4-6-25(29-18-23)33-13-7-20-15-21(3-5-24(20)33)26(35)28-10-14-34/h3-7,13,15-18,22,34H,2,8-12,14H2,1H3,(H,28,35)
InChIKeyCLMQWFJAOODWAN-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.15
Rot. Bonds8

About 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide

1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide (PubChem CID 67806870) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
PubChem CID67806870
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
SMILESCCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1
InChIInChI=1S/C27H30N6O3/c1-2-19-16-30-27(31-17-19)32-11-8-22(9-12-32)36-23-4-6-25(29-18-23)33-13-7-20-15-21(3-5-24(20)33)26(35)28-10-14-34/h3-7,13,15-18,22,34H,2,8-12,14H2,1H3,(H,28,35)
InChIKeyCLMQWFJAOODWAN-UHFFFAOYSA-N
XLogP3.15
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
The IUPAC name of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide (CID 67806870) is 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide.
What is the SMILES notation for 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
The canonical SMILES for 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide is CCc1cnc(N2CCC(Oc3ccc(-n4ccc5cc(C(=O)NCCO)ccc54)nc3)CC2)nc1.
What is the InChIKey of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
The InChIKey is CLMQWFJAOODWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-2-19-16-30-27(31-17-19)32-11-8-22(9-12-32)36-23-4-6-25(29-18-23)33-13-7-20-15-21(3-5-24(20)33)26(35)28-10-14-34/h3-7,13,15-18,22,34H,2,8-12,14H2,1H3,(H,28,35).
What are the key properties of 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide?
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide is sourced from PubChem (CID 67806870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).