(5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen

C25H26N4O2 — CID 161473623

IUPAC(5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
SMILESCc1ccc2[nH]c(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)cc2c1.[H][H]
InChIInChI=1S/C25H24N4O2.H2/c1-16-7-8-20-17(13-16)14-21(27-20)24(30)29-11-9-25(10-12-29)19-15-26-28(2)23(19)18-5-3-4-6-22(18)31-25;/h3-8,13-15,27H,9-12H2,1-2H3;1H
InChIKeyWDKLRJYAXGACLC-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.65
Rot. Bonds1

About (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen

(5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen (PubChem CID 161473623) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
PubChem CID161473623
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen
SMILESCc1ccc2[nH]c(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)cc2c1.[H][H]
InChIInChI=1S/C25H24N4O2.H2/c1-16-7-8-20-17(13-16)14-21(27-20)24(30)29-11-9-25(10-12-29)19-15-26-28(2)23(19)18-5-3-4-6-22(18)31-25;/h3-8,13-15,27H,9-12H2,1-2H3;1H
InChIKeyWDKLRJYAXGACLC-UHFFFAOYSA-N
XLogP4.65
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
The IUPAC name of (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen (CID 161473623) is (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen is Cc1ccc2[nH]c(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)cc2c1.[H][H].
What is the InChIKey of (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
The InChIKey is WDKLRJYAXGACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.H2/c1-16-7-8-20-17(13-16)14-21(27-20)24(30)29-11-9-25(10-12-29)19-15-26-28(2)23(19)18-5-3-4-6-22(18)31-25;/h3-8,13-15,27H,9-12H2,1-2H3;1H.
What are the key properties of (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen?
(5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen has a molecular weight of 414.51 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen is sourced from PubChem (CID 161473623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).