cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate

C24H29ClN4O3 — CID 178145324

IUPACcyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
SMILESO=C(OCC1CC1)N1CCC2(CC1)Oc1cc(Cl)ccc1-c1nn(C3CCNCC3)cc12
InChIInChI=1S/C24H29ClN4O3/c25-17-3-4-19-21(13-17)32-24(7-11-28(12-8-24)23(30)31-15-16-1-2-16)20-14-29(27-22(19)20)18-5-9-26-10-6-18/h3-4,13-14,16,18,26H,1-2,5-12,15H2
InChIKeyZDTXOJVPNGWLIW-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.36
Rot. Bonds3

About cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate

cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 178145324) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
PubChem CID178145324
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Namecyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
SMILESO=C(OCC1CC1)N1CCC2(CC1)Oc1cc(Cl)ccc1-c1nn(C3CCNCC3)cc12
InChIInChI=1S/C24H29ClN4O3/c25-17-3-4-19-21(13-17)32-24(7-11-28(12-8-24)23(30)31-15-16-1-2-16)20-14-29(27-22(19)20)18-5-9-26-10-6-18/h3-4,13-14,16,18,26H,1-2,5-12,15H2
InChIKeyZDTXOJVPNGWLIW-UHFFFAOYSA-N
XLogP4.36
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropylmethyl 4-[(4R)-2,2-dimethylpiperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
CID 178145261
cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
CID 178145063
cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 178145287
cyclopropylmethyl spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145386
cyclopropylmethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145007
cyclopropylmethyl 11-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
CID 178145220
cyclopropylmethyl 2-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-3,7-dimethylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145458
cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178144997
tert-butyl 16-chloro-12-oxospiro[2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-9,4'-piperidine]-1'-carboxylate
CID 175662069
cyclopropylmethyl 2-(2,2-dimethylthiomorpholin-4-yl)-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145064
cyclopropylmethyl 2-[(4R)-2,2-dimethyl-1,1-dioxothian-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145422
tert-butyl 3-(diethoxymethyl)-6-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]
CID 157356159

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate (CID 178145324) is cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate is O=C(OCC1CC1)N1CCC2(CC1)Oc1cc(Cl)ccc1-c1nn(C3CCNCC3)cc12.
What is the InChIKey of cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is ZDTXOJVPNGWLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c25-17-3-4-19-21(13-17)32-24(7-11-28(12-8-24)23(30)31-15-16-1-2-16)20-14-29(27-22(19)20)18-5-9-26-10-6-18/h3-4,13-14,16,18,26H,1-2,5-12,15H2.
What are the key properties of cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate?
cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 456.97 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).