(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone

C20H24ClN5O — CID 118111824

IUPAC(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone
SMILESCCn1c(C2CCCN(C(=O)c3cn(C)nc3N)C2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H24ClN5O/c1-3-26-17-7-6-15(21)9-14(17)10-18(26)13-5-4-8-25(11-13)20(27)16-12-24(2)23-19(16)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,22,23)
InChIKeyDIEDLVNTPMBIMI-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.65
Rot. Bonds3

About (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone

(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone (PubChem CID 118111824) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone
PubChem CID118111824
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone
SMILESCCn1c(C2CCCN(C(=O)c3cn(C)nc3N)C2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H24ClN5O/c1-3-26-17-7-6-15(21)9-14(17)10-18(26)13-5-4-8-25(11-13)20(27)16-12-24(2)23-19(16)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,22,23)
InChIKeyDIEDLVNTPMBIMI-UHFFFAOYSA-N
XLogP3.65
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone (CID 118111824) is (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone is CCn1c(C2CCCN(C(=O)c3cn(C)nc3N)C2)cc2cc(Cl)ccc21.
What is the InChIKey of (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DIEDLVNTPMBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-3-26-17-7-6-15(21)9-14(17)10-18(26)13-5-4-8-25(11-13)20(27)16-12-24(2)23-19(16)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,22,23).
What are the key properties of (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone?
(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone has a molecular weight of 385.90 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118111824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).