5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C23H24Cl2N4O3 — CID 168922734

IUPAC5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCC1(O)CCN(C(=O)C(Cc2ccc(Cl)cn2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C23H24Cl2N4O3/c1-23(32)6-8-29(9-7-23)22(31)20(12-17-4-2-16(25)13-26-17)28-21(30)19-11-14-10-15(24)3-5-18(14)27-19/h2-5,10-11,13,20,27,32H,6-9,12H2,1H3,(H,28,30)
InChIKeyLRDSQXUOSOGVAC-UHFFFAOYSA-N
MW475.38 g/mol
LogP3.58
Rot. Bonds5

About 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 168922734) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID168922734
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCC1(O)CCN(C(=O)C(Cc2ccc(Cl)cn2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C23H24Cl2N4O3/c1-23(32)6-8-29(9-7-23)22(31)20(12-17-4-2-16(25)13-26-17)28-21(30)19-11-14-10-15(24)3-5-18(14)27-19/h2-5,10-11,13,20,27,32H,6-9,12H2,1H3,(H,28,30)
InChIKeyLRDSQXUOSOGVAC-UHFFFAOYSA-N
XLogP3.58
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 168922734) is 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CC1(O)CCN(C(=O)C(Cc2ccc(Cl)cn2)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is LRDSQXUOSOGVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c1-23(32)6-8-29(9-7-23)22(31)20(12-17-4-2-16(25)13-26-17)28-21(30)19-11-14-10-15(24)3-5-18(14)27-19/h2-5,10-11,13,20,27,32H,6-9,12H2,1H3,(H,28,30).
What are the key properties of 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 168922734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).