2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide

C23H29N5O3 — CID 131682764

IUPAC2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1c2cccnc2-n2cccc2C12CCN(C(=O)C1CC(O)C1)C2
InChIInChI=1S/C23H29N5O3/c1-15(2)25-20(30)13-28-18-5-3-8-24-21(18)27-9-4-6-19(27)23(28)7-10-26(14-23)22(31)16-11-17(29)12-16/h3-6,8-9,15-17,29H,7,10-14H2,1-2H3,(H,25,30)
InChIKeyQYOIIPZSGSVVHJ-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.42
Rot. Bonds4

About 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide

2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide (PubChem CID 131682764) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide
PubChem CID131682764
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1c2cccnc2-n2cccc2C12CCN(C(=O)C1CC(O)C1)C2
InChIInChI=1S/C23H29N5O3/c1-15(2)25-20(30)13-28-18-5-3-8-24-21(18)27-9-4-6-19(27)23(28)7-10-26(14-23)22(31)16-11-17(29)12-16/h3-6,8-9,15-17,29H,7,10-14H2,1-2H3,(H,25,30)
InChIKeyQYOIIPZSGSVVHJ-UHFFFAOYSA-N
XLogP1.42
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-propan-2-yl-2-[1'-(pyrazine-2-carbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]acetamide
CID 131682710
cyclobutyl-[8-(3-methylbutyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone
CID 131679371
(3-fluorocyclobutyl)-(8-propylspiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl)methanone
CID 131679220
[8-(3-methylbutyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131679391
cyclopentyl-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867237
cyclobutyl-[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867287
[8-(3-methylbutyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-pyrazin-2-ylmethanone
CID 131679384
(3-hydroxy-4-methylphenyl)-[8-(2-methylpropyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone
CID 131679748
[8-(3-methylbutyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-(6-methyl-2-pyridinyl)methanone
CID 131679370
(4-fluorooxan-4-yl)-[8-(2-methylpropyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867518
[8-(2-methylpropyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171693295
[8-(2-methoxyethyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-1'-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155867496

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide (CID 131682764) is 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1c2cccnc2-n2cccc2C12CCN(C(=O)C1CC(O)C1)C2.
What is the InChIKey of 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide?
The InChIKey is QYOIIPZSGSVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)25-20(30)13-28-18-5-3-8-24-21(18)27-9-4-6-19(27)23(28)7-10-26(14-23)22(31)16-11-17(29)12-16/h3-6,8-9,15-17,29H,7,10-14H2,1-2H3,(H,25,30).
What are the key properties of 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide?
2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide has a molecular weight of 423.52 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(3-hydroxycyclobutanecarbonyl)spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,3'-pyrrolidine]-8-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 131682764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).